8-(6-chloro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide

C28H32ClN3O2 — CID 171675378

IUPAC8-(6-chloro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CCC3(CCN(C(=O)c4cc5ccc(Cl)cc5[nH]4)CC3)C2)cc1
InChIInChI=1S/C28H32ClN3O2/c1-18-3-5-20(6-4-18)19(2)30-26(33)22-9-10-28(17-22)11-13-32(14-12-28)27(34)25-15-21-7-8-23(29)16-24(21)31-25/h3-8,15-16,19,22,31H,9-14,17H2,1-2H3,(H,30,33)
InChIKeyPDOVLGHARDMJCQ-UHFFFAOYSA-N
MW478.04 g/mol
LogP6.03
Rot. Bonds4

About 8-(6-chloro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide

8-(6-chloro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide (PubChem CID 171675378) has the molecular formula C28H32ClN3O2 and a molecular weight of 478.04 g/mol. Its IUPAC name is 8-(6-chloro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name8-(6-chloro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide
PubChem CID171675378
Molecular FormulaC28H32ClN3O2
Molecular Weight478.04 g/mol
Exact Mass477.22
IUPAC Name8-(6-chloro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CCC3(CCN(C(=O)c4cc5ccc(Cl)cc5[nH]4)CC3)C2)cc1
InChIInChI=1S/C28H32ClN3O2/c1-18-3-5-20(6-4-18)19(2)30-26(33)22-9-10-28(17-22)11-13-32(14-12-28)27(34)25-15-21-7-8-23(29)16-24(21)31-25/h3-8,15-16,19,22,31H,9-14,17H2,1-2H3,(H,30,33)
InChIKeyPDOVLGHARDMJCQ-UHFFFAOYSA-N
XLogP6.03
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.04
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 8-(6-chloro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide with MolForge

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Related Compounds

8-(5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide
CID 171675383
(6-chloro-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 110888104
(6-chloro-1H-indol-2-yl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 75447446
1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 28572355
5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide
CID 129040061
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004083
N-(5-chloro-2-hydroxyphenyl)-1-(6-methoxy-1H-indole-2-carbonyl)piperidine-4-carboxamide
CID 154749753
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341
[4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38908871
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671

Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 8-(6-chloro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide (CID 171675378) is 8-(6-chloro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 8-(6-chloro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 8-(6-chloro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide is Cc1ccc(C(C)NC(=O)C2CCC3(CCN(C(=O)c4cc5ccc(Cl)cc5[nH]4)CC3)C2)cc1.
What is the InChIKey of 8-(6-chloro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is PDOVLGHARDMJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN3O2/c1-18-3-5-20(6-4-18)19(2)30-26(33)22-9-10-28(17-22)11-13-32(14-12-28)27(34)25-15-21-7-8-23(29)16-24(21)31-25/h3-8,15-16,19,22,31H,9-14,17H2,1-2H3,(H,30,33).
What are the key properties of 8-(6-chloro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide?
8-(6-chloro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 478.04 g/mol, XLogP of 6.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloro-1H-indole-2-carbonyl)-N-[1-(4-methylphenyl)ethyl]-8-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 171675378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).