N-(1-phenylpiperidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C20H29N3O — CID 119888760

IUPACN-(1-phenylpiperidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(NC1CCCN(c2ccccc2)C1)C1CC2CCCCC2N1
InChIInChI=1S/C20H29N3O/c24-20(19-13-15-7-4-5-11-18(15)22-19)21-16-8-6-12-23(14-16)17-9-2-1-3-10-17/h1-3,9-10,15-16,18-19,22H,4-8,11-14H2,(H,21,24)
InChIKeyFPFSCDUHTDVKAF-UHFFFAOYSA-N
MW327.47 g/mol
LogP2.69
Rot. Bonds3

About N-(1-phenylpiperidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-(1-phenylpiperidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 119888760) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-(1-phenylpiperidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylpiperidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID119888760
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-(1-phenylpiperidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(NC1CCCN(c2ccccc2)C1)C1CC2CCCCC2N1
InChIInChI=1S/C20H29N3O/c24-20(19-13-15-7-4-5-11-18(15)22-19)21-16-8-6-12-23(14-16)17-9-2-1-3-10-17/h1-3,9-10,15-16,18-19,22H,4-8,11-14H2,(H,21,24)
InChIKeyFPFSCDUHTDVKAF-UHFFFAOYSA-N
XLogP2.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-phenylpiperidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-(1-phenylpiperidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119863000
(1-phenylpiperidin-3-yl)urea
CID 121416777
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
N-[1-(2-phenylethyl)piperidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119844573
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119868533
N-[1-(phenylcarbamoyl)piperidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119276912
N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24711712
N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide
CID 119888738
2-hydroxy-N-[(3S)-1-phenylpiperidin-3-yl]bicyclo[3.2.1]octane-6-carboxamide
CID 58656288
1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide
CID 167845265
N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119295776
N-(1-cyclopropylsulfonylpiperidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119341222

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpiperidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-(1-phenylpiperidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 119888760) is N-(1-phenylpiperidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1-phenylpiperidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(1-phenylpiperidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is O=C(NC1CCCN(c2ccccc2)C1)C1CC2CCCCC2N1.
What is the InChIKey of N-(1-phenylpiperidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is FPFSCDUHTDVKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c24-20(19-13-15-7-4-5-11-18(15)22-19)21-16-8-6-12-23(14-16)17-9-2-1-3-10-17/h1-3,9-10,15-16,18-19,22H,4-8,11-14H2,(H,21,24).
What are the key properties of N-(1-phenylpiperidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-(1-phenylpiperidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpiperidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 119888760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).