1-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]indole-3-carboxamide

C21H24N4O — CID 136520105

IUPAC1-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]indole-3-carboxamide
SMILESCn1cc(C(=O)NCC2CCN(c3ccncc3)CC2)c2ccccc21
InChIInChI=1S/C21H24N4O/c1-24-15-19(18-4-2-3-5-20(18)24)21(26)23-14-16-8-12-25(13-9-16)17-6-10-22-11-7-17/h2-7,10-11,15-16H,8-9,12-14H2,1H3,(H,23,26)
InChIKeyYJOJLVRDJYKCNH-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.22
Rot. Bonds4

About 1-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]indole-3-carboxamide

1-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]indole-3-carboxamide (PubChem CID 136520105) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]indole-3-carboxamide
PubChem CID136520105
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]indole-3-carboxamide
SMILESCn1cc(C(=O)NCC2CCN(c3ccncc3)CC2)c2ccccc21
InChIInChI=1S/C21H24N4O/c1-24-15-19(18-4-2-3-5-20(18)24)21(26)23-14-16-8-12-25(13-9-16)17-6-10-22-11-7-17/h2-7,10-11,15-16H,8-9,12-14H2,1H3,(H,23,26)
InChIKeyYJOJLVRDJYKCNH-UHFFFAOYSA-N
XLogP3.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
CID 106122361
N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 86263573
N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499
N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
CID 64911107
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
2-chloro-6-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 86263563
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
4-methyl-N-[(1-phenylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide
CID 122144511
1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide
CID 94201114
N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107650
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
6-bromo-N-(cyclopropylmethyl)-1-methylindole-3-carboxamide
CID 172654835

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]indole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]indole-3-carboxamide (CID 136520105) is 1-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]indole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]indole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]indole-3-carboxamide is Cn1cc(C(=O)NCC2CCN(c3ccncc3)CC2)c2ccccc21.
What is the InChIKey of 1-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]indole-3-carboxamide?
The InChIKey is YJOJLVRDJYKCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-24-15-19(18-4-2-3-5-20(18)24)21(26)23-14-16-8-12-25(13-9-16)17-6-10-22-11-7-17/h2-7,10-11,15-16H,8-9,12-14H2,1H3,(H,23,26).
What are the key properties of 1-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]indole-3-carboxamide?
1-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]indole-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]indole-3-carboxamide is sourced from PubChem (CID 136520105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).