N-[1-[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide

C29H31N5O2 — CID 36945713

IUPACN-[1-[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
SMILESN#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CCC(NC(=O)c3ccccc3)CC1)CCCC2
InChIInChI=1S/C29H31N5O2/c30-19-25-24-13-7-8-14-26(24)34(23-11-5-2-6-12-23)28(25)32-27(35)20-33-17-15-22(16-18-33)31-29(36)21-9-3-1-4-10-21/h1-6,9-12,22H,7-8,13-18,20H2,(H,31,36)(H,32,35)
InChIKeyDJLFXCQVWHRPGV-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.06
Rot. Bonds6

About N-[1-[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide

N-[1-[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide (PubChem CID 36945713) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[1-[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
PubChem CID36945713
Molecular FormulaC29H31N5O2
Molecular Weight481.60 g/mol
Exact Mass481.25
IUPAC NameN-[1-[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
SMILESN#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CCC(NC(=O)c3ccccc3)CC1)CCCC2
InChIInChI=1S/C29H31N5O2/c30-19-25-24-13-7-8-14-26(24)34(23-11-5-2-6-12-23)28(25)32-27(35)20-33-17-15-22(16-18-33)31-29(36)21-9-3-1-4-10-21/h1-6,9-12,22H,7-8,13-18,20H2,(H,31,36)(H,32,35)
InChIKeyDJLFXCQVWHRPGV-UHFFFAOYSA-N
XLogP4.06
TPSA90.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide with MolForge

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Related Compounds

N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-thiomorpholin-4-ylacetamide
CID 56524906
N-[1-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 16596813
N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 55680231
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide
CID 31905625
N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102987
N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 39537783
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 16580767
N-(1-benzylpiperidin-4-yl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20908801
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 47083042
N-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide (CID 36945713) is N-[1-[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide is N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CCC(NC(=O)c3ccccc3)CC1)CCCC2.
What is the InChIKey of N-[1-[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide?
The InChIKey is DJLFXCQVWHRPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O2/c30-19-25-24-13-7-8-14-26(24)34(23-11-5-2-6-12-23)28(25)32-27(35)20-33-17-15-22(16-18-33)31-29(36)21-9-3-1-4-10-21/h1-6,9-12,22H,7-8,13-18,20H2,(H,31,36)(H,32,35).
What are the key properties of N-[1-[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide?
N-[1-[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide has a molecular weight of 481.60 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 36945713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).