(1-methylpiperidin-3-yl)-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone

C19H33N5O — CID 134708975

IUPAC(1-methylpiperidin-3-yl)-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCc1nc(CN2CCCN(C(=O)C3CCCN(C)C3)CC2)n(C)c1C
InChIInChI=1S/C19H33N5O/c1-15-16(2)22(4)18(20-15)14-23-9-6-10-24(12-11-23)19(25)17-7-5-8-21(3)13-17/h17H,5-14H2,1-4H3
InChIKeyNJDOIGCJTQTDTC-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.41
Rot. Bonds3

About (1-methylpiperidin-3-yl)-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone

(1-methylpiperidin-3-yl)-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 134708975) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl)-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl)-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
PubChem CID134708975
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name(1-methylpiperidin-3-yl)-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCc1nc(CN2CCCN(C(=O)C3CCCN(C)C3)CC2)n(C)c1C
InChIInChI=1S/C19H33N5O/c1-15-16(2)22(4)18(20-15)14-23-9-6-10-24(12-11-23)19(25)17-7-5-8-21(3)13-17/h17H,5-14H2,1-4H3
InChIKeyNJDOIGCJTQTDTC-UHFFFAOYSA-N
XLogP1.41
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-methylpiperidin-3-yl)-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone with MolForge

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Related Compounds

[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone
CID 134697790
[4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone
CID 138808676
[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone
CID 134707551
3-(1,2,4-triazol-4-yl)-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 134703052
(5-methylthiophen-2-yl)-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 134698674
2-[[4-(1-methylpiperidine-3-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 137334393
[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 124813623
ethyl 4-[(3S)-1-methylpiperidine-3-carbonyl]piperazine-1-carboxylate
CID 96588659
(4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 121184137
4-propan-2-yl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine
CID 58395091
(4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
CID 129373940
(4-aminopiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
CID 129493268

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl)-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of (1-methylpiperidin-3-yl)-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone (CID 134708975) is (1-methylpiperidin-3-yl)-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (1-methylpiperidin-3-yl)-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (1-methylpiperidin-3-yl)-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone is Cc1nc(CN2CCCN(C(=O)C3CCCN(C)C3)CC2)n(C)c1C.
What is the InChIKey of (1-methylpiperidin-3-yl)-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is NJDOIGCJTQTDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-15-16(2)22(4)18(20-15)14-23-9-6-10-24(12-11-23)19(25)17-7-5-8-21(3)13-17/h17H,5-14H2,1-4H3.
What are the key properties of (1-methylpiperidin-3-yl)-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone?
(1-methylpiperidin-3-yl)-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 347.51 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl)-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 134708975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).