N-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide

C23H25N3O2 — CID 66571403

IUPACN-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H25N3O2/c1-25(16-17-7-3-2-4-8-17)22(27)18-11-13-26(14-12-18)23(28)21-15-19-9-5-6-10-20(19)24-21/h2-10,15,18,24H,11-14,16H2,1H3
InChIKeyPNBDGAOHSXPWDM-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.68
Rot. Bonds4

About N-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide

N-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide (PubChem CID 66571403) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide
PubChem CID66571403
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H25N3O2/c1-25(16-17-7-3-2-4-8-17)22(27)18-11-13-26(14-12-18)23(28)21-15-19-9-5-6-10-20(19)24-21/h2-10,15,18,24H,11-14,16H2,1H3
InChIKeyPNBDGAOHSXPWDM-UHFFFAOYSA-N
XLogP3.68
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
1-(6-bromo-1H-indole-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 134062050
N-benzyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35552274
N-benzyl-2-[(3S,4S)-4-(4-chlorophenoxy)-1-(1H-indole-2-carbonyl)piperidin-3-yl]-N-methylacetamide
CID 110078473
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
N-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
CID 27848341
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
CID 112695865

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide (CID 66571403) is N-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide is CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of N-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is PNBDGAOHSXPWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-25(16-17-7-3-2-4-8-17)22(27)18-11-13-26(14-12-18)23(28)21-15-19-9-5-6-10-20(19)24-21/h2-10,15,18,24H,11-14,16H2,1H3.
What are the key properties of N-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide?
N-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 66571403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).