[1-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methoxy-3H-indol-7-yl]piperidin-3-yl]methyl carbamate

C23H33N5O5 — CID 167705999

IUPAC[1-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methoxy-3H-indol-7-yl]piperidin-3-yl]methyl carbamate
SMILESCOc1ccc(N2CCCC(COC(N)=O)C2)c2c1CC(NC(=O)N1CCC(C)(O)CC1)=N2
InChIInChI=1S/C23H33N5O5/c1-23(31)7-10-27(11-8-23)22(30)26-19-12-16-18(32-2)6-5-17(20(16)25-19)28-9-3-4-15(13-28)14-33-21(24)29/h5-6,15,31H,3-4,7-14H2,1-2H3,(H2,24,29)(H,25,26,30)
InChIKeyZCOOCBIRGUYZOY-UHFFFAOYSA-N
MW459.55 g/mol
LogP2.15
Rot. Bonds4

About [1-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methoxy-3H-indol-7-yl]piperidin-3-yl]methyl carbamate

[1-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methoxy-3H-indol-7-yl]piperidin-3-yl]methyl carbamate (PubChem CID 167705999) has the molecular formula C23H33N5O5 and a molecular weight of 459.55 g/mol. Its IUPAC name is [1-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methoxy-3H-indol-7-yl]piperidin-3-yl]methyl carbamate.

Molecular Properties

Compound Name[1-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methoxy-3H-indol-7-yl]piperidin-3-yl]methyl carbamate
PubChem CID167705999
Molecular FormulaC23H33N5O5
Molecular Weight459.55 g/mol
Exact Mass459.25
IUPAC Name[1-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methoxy-3H-indol-7-yl]piperidin-3-yl]methyl carbamate
SMILESCOc1ccc(N2CCCC(COC(N)=O)C2)c2c1CC(NC(=O)N1CCC(C)(O)CC1)=N2
InChIInChI=1S/C23H33N5O5/c1-23(31)7-10-27(11-8-23)22(30)26-19-12-16-18(32-2)6-5-17(20(16)25-19)28-9-3-4-15(13-28)14-33-21(24)29/h5-6,15,31H,3-4,7-14H2,1-2H3,(H2,24,29)(H,25,26,30)
InChIKeyZCOOCBIRGUYZOY-UHFFFAOYSA-N
XLogP2.15
TPSA129.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze [1-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methoxy-3H-indol-7-yl]piperidin-3-yl]methyl carbamate with MolForge

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Launch Full Analysis

Related Compounds

4-hydroxy-N-[4-methoxy-7-[2-methoxyethyl(methyl)amino]-3H-indol-2-yl]-4-methylpiperidine-1-carboxamide
CID 149196943
tert-butyl 4-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate
CID 156860907
[1-[2-[Hydroxy-(4-hydroxy-4-methylpiperidin-1-yl)methyl]imino-4-methoxy-1,3-dihydroindol-7-yl]piperidin-3-yl]methyl carbamate
CID 158050171
[4-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methoxy-3H-indol-7-yl]morpholin-2-yl]methyl carbamate
CID 158946414
4-benzyl-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)piperidine-1-carboxamide
CID 159771206
N-[7-(azepan-1-yl)-4-methoxy-3H-indol-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 160042923
N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 161029359
4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-indol-2-yl)-4-methylpiperidine-1-carboxamide
CID 161182428
aminomethylidene-(2-formamido-4-methoxy-3H-indol-7-yl)-(methyliminomethyl)azanium;4-methylpiperidine;hydrate
CID 161447119
[1-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methoxy-3H-indol-7-yl]piperidin-3-yl]methyl cyanate
CID 167570500
butyl 4-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate
CID 172797764
tert-butyl 2-(5-methoxy-3-methyl-2-oxo-1H-benzimidazol-4-yl)piperidine-1-carboxylate
CID 175931242

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methoxy-3H-indol-7-yl]piperidin-3-yl]methyl carbamate?
The IUPAC name of [1-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methoxy-3H-indol-7-yl]piperidin-3-yl]methyl carbamate (CID 167705999) is [1-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methoxy-3H-indol-7-yl]piperidin-3-yl]methyl carbamate.
What is the SMILES notation for [1-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methoxy-3H-indol-7-yl]piperidin-3-yl]methyl carbamate?
The canonical SMILES for [1-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methoxy-3H-indol-7-yl]piperidin-3-yl]methyl carbamate is COc1ccc(N2CCCC(COC(N)=O)C2)c2c1CC(NC(=O)N1CCC(C)(O)CC1)=N2.
What is the InChIKey of [1-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methoxy-3H-indol-7-yl]piperidin-3-yl]methyl carbamate?
The InChIKey is ZCOOCBIRGUYZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O5/c1-23(31)7-10-27(11-8-23)22(30)26-19-12-16-18(32-2)6-5-17(20(16)25-19)28-9-3-4-15(13-28)14-33-21(24)29/h5-6,15,31H,3-4,7-14H2,1-2H3,(H2,24,29)(H,25,26,30).
What are the key properties of [1-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methoxy-3H-indol-7-yl]piperidin-3-yl]methyl carbamate?
[1-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methoxy-3H-indol-7-yl]piperidin-3-yl]methyl carbamate has a molecular weight of 459.55 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4-methoxy-3H-indol-7-yl]piperidin-3-yl]methyl carbamate is sourced from PubChem (CID 167705999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).