1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide

C23H27N3O — CID 86877683

IUPAC1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide
SMILESCN1CCC(CNC(=O)c2cc3ccccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C23H27N3O/c1-25-13-11-18(12-14-25)16-24-23(27)22-15-20-9-5-6-10-21(20)26(22)17-19-7-3-2-4-8-19/h2-10,15,18H,11-14,16-17H2,1H3,(H,24,27)
InChIKeySAJYWLDTJGAHBO-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.76
Rot. Bonds5

About 1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide

1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide (PubChem CID 86877683) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide
PubChem CID86877683
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide
SMILESCN1CCC(CNC(=O)c2cc3ccccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C23H27N3O/c1-25-13-11-18(12-14-25)16-24-23(27)22-15-20-9-5-6-10-21(20)26(22)17-19-7-3-2-4-8-19/h2-10,15,18H,11-14,16-17H2,1H3,(H,24,27)
InChIKeySAJYWLDTJGAHBO-UHFFFAOYSA-N
XLogP3.76
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 20801026
ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate
CID 46491360
1-benzyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]indole-2-carboxamide
CID 56544766
1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide
CID 78888011
4-[[(1-benzylindole-2-carbonyl)amino]methyl]-1-methylpyrazole-5-carboxylic acid
CID 167919345
4-[[[1-(quinolin-2-ylmethyl)indole-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 58306839
1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide
CID 60511957
methyl 4-[[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]indole-2-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 58307063
1-benzyl-N-[(3-bromophenyl)methyl]indole-2-carboxamide
CID 51361856
N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-ethylindole-2-carboxamide
CID 95586466
1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 7313084
1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide
CID 11056970

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide (CID 86877683) is 1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide is CN1CCC(CNC(=O)c2cc3ccccc3n2Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide?
The InChIKey is SAJYWLDTJGAHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-25-13-11-18(12-14-25)16-24-23(27)22-15-20-9-5-6-10-21(20)26(22)17-19-7-3-2-4-8-19/h2-10,15,18H,11-14,16-17H2,1H3,(H,24,27).
What are the key properties of 1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide?
1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide is sourced from PubChem (CID 86877683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).