N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C22H27N3O2 — CID 37345240

IUPACN-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C22H27N3O2/c1-15-20-18(8-5-9-19(20)26)24-21(15)22(27)23-17-10-12-25(13-11-17)14-16-6-3-2-4-7-16/h2-4,6-7,17,24H,5,8-14H2,1H3,(H,23,27)
InChIKeyHQDJGXSVAJGOLF-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.24
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 37345240) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID37345240
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C22H27N3O2/c1-15-20-18(8-5-9-19(20)26)24-21(15)22(27)23-17-10-12-25(13-11-17)14-16-6-3-2-4-7-16/h2-4,6-7,17,24H,5,8-14H2,1H3,(H,23,27)
InChIKeyHQDJGXSVAJGOLF-UHFFFAOYSA-N
XLogP3.24
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide with MolForge

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Related Compounds

3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 166191316
cis-(1R,3S)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678843
4-acetyl-N-[(3S)-1-benzylpyrrolidin-3-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 40811412
2-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 51292516
N-(1-benzylpiperidin-4-yl)-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 56701761
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-1H-indole-2-carboxamide
CID 46964182
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-(1-benzylpiperidin-4-yl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861431
5-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119245911
(1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 2712549
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666398

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 37345240) is N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is HQDJGXSVAJGOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-20-18(8-5-9-19(20)26)24-21(15)22(27)23-17-10-12-25(13-11-17)14-16-6-3-2-4-7-16/h2-4,6-7,17,24H,5,8-14H2,1H3,(H,23,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 37345240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).