2-(6-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide

C27H34ClN5O3 — CID 167229844

IUPAC2-(6-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide
SMILESN#CC(CC1CCCNC1O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C27H34ClN5O3/c28-19-7-6-17-12-22(32-21(17)13-19)26(36)33-16-27(8-2-1-3-9-27)14-23(33)25(35)31-20(15-29)11-18-5-4-10-30-24(18)34/h6-7,12-13,18,20,23-24,30,32,34H,1-5,8-11,14,16H2,(H,31,35)
InChIKeyRIGDPOHIZJKNQT-UHFFFAOYSA-N
MW512.05 g/mol
LogP3.70
Rot. Bonds5

About 2-(6-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide

2-(6-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide (PubChem CID 167229844) has the molecular formula C27H34ClN5O3 and a molecular weight of 512.05 g/mol. Its IUPAC name is 2-(6-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide
PubChem CID167229844
Molecular FormulaC27H34ClN5O3
Molecular Weight512.05 g/mol
Exact Mass511.24
IUPAC Name2-(6-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide
SMILESN#CC(CC1CCCNC1O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C27H34ClN5O3/c28-19-7-6-17-12-22(32-21(17)13-19)26(36)33-16-27(8-2-1-3-9-27)14-23(33)25(35)31-20(15-29)11-18-5-4-10-30-24(18)34/h6-7,12-13,18,20,23-24,30,32,34H,1-5,8-11,14,16H2,(H,31,35)
InChIKeyRIGDPOHIZJKNQT-UHFFFAOYSA-N
XLogP3.70
TPSA121.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.05
LogP ≤ 53.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 2-(6-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide (CID 167229844) is 2-(6-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 2-(6-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 2-(6-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide is N#CC(CC1CCCNC1O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 2-(6-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is RIGDPOHIZJKNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN5O3/c28-19-7-6-17-12-22(32-21(17)13-19)26(36)33-16-27(8-2-1-3-9-27)14-23(33)25(35)31-20(15-29)11-18-5-4-10-30-24(18)34/h6-7,12-13,18,20,23-24,30,32,34H,1-5,8-11,14,16H2,(H,31,35).
What are the key properties of 2-(6-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide?
2-(6-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 512.05 g/mol, XLogP of 3.70, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indole-2-carbonyl)-N-[1-cyano-2-(2-hydroxypiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 167229844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).