tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl-(1-methoxyethenoxy)-dimethylsilane;tert-butyl 4-[3-methoxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidine-1-carboxylate;8-(1,4-diazepan-1-yl)-7-methoxyquinoline

C64H100N8O11Si — CID 160639603

IUPACtert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl-(1-methoxyethenoxy)-dimethylsilane;tert-butyl 4-[3-methoxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidine-1-carboxylate;8-(1,4-diazepan-1-yl)-7-methoxyquinoline
SMILESC=C(OC)O[Si](C)(C)C(C)(C)C.CC(C)(C)OC(=O)N1CCC(C=O)CC1.COC(=O)CC(C1CCN(C(=O)OC(C)(C)C)CC1)N1CCCN(c2c(OC)ccc3cccnc23)CC1.COc1ccc2cccnc2c1N1CCCNCC1
InChIInChI=1S/C29H42N4O5.C15H19N3O.C11H19NO3.C9H20O2Si/c1-29(2,3)38-28(35)33-16-11-21(12-17-33)23(20-25(34)37-5)31-14-7-15-32(19-18-31)27-24(36-4)10-9-22-8-6-13-30-26(22)27;1-19-13-6-5-12-4-2-8-17-14(12)15(13)18-10-3-7-16-9-11-18;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12;1-8(10-5)11-12(6,7)9(2,3)4/h6,8-10,13,21,23H,7,11-12,14-20H2,1-5H3;2,4-6,8,16H,3,7,9-11H2,1H3;8-9H,4-7H2,1-3H3;1H2,2-7H3
InChIKeyRIZPJTPUYPPJMN-UHFFFAOYSA-N
MW1185.63 g/mol
LogP11.34
Rot. Bonds12

About tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl-(1-methoxyethenoxy)-dimethylsilane;tert-butyl 4-[3-methoxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidine-1-carboxylate;8-(1,4-diazepan-1-yl)-7-methoxyquinoline

tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl-(1-methoxyethenoxy)-dimethylsilane;tert-butyl 4-[3-methoxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidine-1-carboxylate;8-(1,4-diazepan-1-yl)-7-methoxyquinoline (PubChem CID 160639603) has the molecular formula C64H100N8O11Si and a molecular weight of 1185.63 g/mol. Its IUPAC name is tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl-(1-methoxyethenoxy)-dimethylsilane;tert-butyl 4-[3-methoxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidine-1-carboxylate;8-(1,4-diazepan-1-yl)-7-methoxyquinoline.

Molecular Properties

Compound Nametert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl-(1-methoxyethenoxy)-dimethylsilane;tert-butyl 4-[3-methoxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidine-1-carboxylate;8-(1,4-diazepan-1-yl)-7-methoxyquinoline
PubChem CID160639603
Molecular FormulaC64H100N8O11Si
Molecular Weight1185.63 g/mol
Exact Mass1184.73
IUPAC Nametert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl-(1-methoxyethenoxy)-dimethylsilane;tert-butyl 4-[3-methoxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidine-1-carboxylate;8-(1,4-diazepan-1-yl)-7-methoxyquinoline
SMILESC=C(OC)O[Si](C)(C)C(C)(C)C.CC(C)(C)OC(=O)N1CCC(C=O)CC1.COC(=O)CC(C1CCN(C(=O)OC(C)(C)C)CC1)N1CCCN(c2c(OC)ccc3cccnc23)CC1.COc1ccc2cccnc2c1N1CCCNCC1
InChIInChI=1S/C29H42N4O5.C15H19N3O.C11H19NO3.C9H20O2Si/c1-29(2,3)38-28(35)33-16-11-21(12-17-33)23(20-25(34)37-5)31-14-7-15-32(19-18-31)27-24(36-4)10-9-22-8-6-13-30-26(22)27;1-19-13-6-5-12-4-2-8-17-14(12)15(13)18-10-3-7-16-9-11-18;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12;1-8(10-5)11-12(6,7)9(2,3)4/h6,8-10,13,21,23H,7,11-12,14-20H2,1-5H3;2,4-6,8,16H,3,7,9-11H2,1H3;8-9H,4-7H2,1-3H3;1H2,2-7H3
InChIKeyRIZPJTPUYPPJMN-UHFFFAOYSA-N
XLogP11.34
TPSA186.90 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001185.63
LogP ≤ 511.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl-(1-methoxyethenoxy)-dimethylsilane;tert-butyl 4-[3-methoxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidine-1-carboxylate;8-(1,4-diazepan-1-yl)-7-methoxyquinoline with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-[3-hydroxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]propyl]piperidine-1-carboxylate
CID 70893770
tert-butyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate
CID 46206314
tert-butyl 4-(2-methoxyphenyl)-1,4-diazepane-1-carboxylate;1-(2-methoxyphenyl)-1,4-diazepane
CID 161383472
tert-butyl 4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepane-1-carboxylate;8-(1,4-diazepan-1-yl)-6-propan-2-ylquinoline;methane;hydrochloride
CID 160801055
2-cyclopentyl-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]ethanone
CID 70893779
3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-(1-propan-2-ylpyrazol-3-yl)propanamide
CID 70893835
tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate
CID 70571171
tert-butyl 4-(7-bromoquinolin-8-yl)oxypiperidine-1-carboxylate
CID 68755012
(3S)-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 70893829
2-bromo-3-(cyclopropylmethoxy)pyridine;tert-butyl 4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
CID 157071927
1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol
CID 70823321
3-[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)propanoic acid;3-[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one;pyrrolidine
CID 160978193

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl-(1-methoxyethenoxy)-dimethylsilane;tert-butyl 4-[3-methoxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidine-1-carboxylate;8-(1,4-diazepan-1-yl)-7-methoxyquinoline?
The IUPAC name of tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl-(1-methoxyethenoxy)-dimethylsilane;tert-butyl 4-[3-methoxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidine-1-carboxylate;8-(1,4-diazepan-1-yl)-7-methoxyquinoline (CID 160639603) is tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl-(1-methoxyethenoxy)-dimethylsilane;tert-butyl 4-[3-methoxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidine-1-carboxylate;8-(1,4-diazepan-1-yl)-7-methoxyquinoline.
What is the SMILES notation for tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl-(1-methoxyethenoxy)-dimethylsilane;tert-butyl 4-[3-methoxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidine-1-carboxylate;8-(1,4-diazepan-1-yl)-7-methoxyquinoline?
The canonical SMILES for tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl-(1-methoxyethenoxy)-dimethylsilane;tert-butyl 4-[3-methoxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidine-1-carboxylate;8-(1,4-diazepan-1-yl)-7-methoxyquinoline is C=C(OC)O[Si](C)(C)C(C)(C)C.CC(C)(C)OC(=O)N1CCC(C=O)CC1.COC(=O)CC(C1CCN(C(=O)OC(C)(C)C)CC1)N1CCCN(c2c(OC)ccc3cccnc23)CC1.COc1ccc2cccnc2c1N1CCCNCC1.
What is the InChIKey of tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl-(1-methoxyethenoxy)-dimethylsilane;tert-butyl 4-[3-methoxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidine-1-carboxylate;8-(1,4-diazepan-1-yl)-7-methoxyquinoline?
The InChIKey is RIZPJTPUYPPJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N4O5.C15H19N3O.C11H19NO3.C9H20O2Si/c1-29(2,3)38-28(35)33-16-11-21(12-17-33)23(20-25(34)37-5)31-14-7-15-32(19-18-31)27-24(36-4)10-9-22-8-6-13-30-26(22)27;1-19-13-6-5-12-4-2-8-17-14(12)15(13)18-10-3-7-16-9-11-18;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12;1-8(10-5)11-12(6,7)9(2,3)4/h6,8-10,13,21,23H,7,11-12,14-20H2,1-5H3;2,4-6,8,16H,3,7,9-11H2,1H3;8-9H,4-7H2,1-3H3;1H2,2-7H3.
What are the key properties of tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl-(1-methoxyethenoxy)-dimethylsilane;tert-butyl 4-[3-methoxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidine-1-carboxylate;8-(1,4-diazepan-1-yl)-7-methoxyquinoline?
tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl-(1-methoxyethenoxy)-dimethylsilane;tert-butyl 4-[3-methoxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidine-1-carboxylate;8-(1,4-diazepan-1-yl)-7-methoxyquinoline has a molecular weight of 1185.63 g/mol, XLogP of 11.34, 12 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl-(1-methoxyethenoxy)-dimethylsilane;tert-butyl 4-[3-methoxy-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidine-1-carboxylate;8-(1,4-diazepan-1-yl)-7-methoxyquinoline is sourced from PubChem (CID 160639603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).