N-[1-(1H-indol-2-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide

C24H29N3O — CID 72895408

IUPACN-[1-(1H-indol-2-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
SMILESCC(c1cc2ccccc2[nH]1)N(C)C(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C24H29N3O/c1-18(23-16-21-8-4-5-9-22(21)25-23)26(2)24(28)20-12-10-19(11-13-20)17-27-14-6-3-7-15-27/h4-5,8-13,16,18,25H,3,6-7,14-15,17H2,1-2H3
InChIKeyADBXLJBPJOTGOT-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.99
Rot. Bonds5

About N-[1-(1H-indol-2-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide

N-[1-(1H-indol-2-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 72895408) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[1-(1H-indol-2-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(1H-indol-2-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
PubChem CID72895408
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-[1-(1H-indol-2-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
SMILESCC(c1cc2ccccc2[nH]1)N(C)C(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C24H29N3O/c1-18(23-16-21-8-4-5-9-22(21)25-23)26(2)24(28)20-12-10-19(11-13-20)17-27-14-6-3-7-15-27/h4-5,8-13,16,18,25H,3,6-7,14-15,17H2,1-2H3
InChIKeyADBXLJBPJOTGOT-UHFFFAOYSA-N
XLogP4.99
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-hydroxy-3-methylbutyl)-N-[(1S)-1-(1H-indol-2-yl)ethyl]-N-methylbenzamide
CID 95884884
N-methyl-4-(pyrrolidin-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 97021387
1-[2-[1-(1H-indol-2-yl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 70717535
N-cyclopentyl-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 46772901
N-[1-(1H-indol-2-yl)ethyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 22722094
N-[(1R)-1-(1H-indol-2-yl)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 97116272
1H-indol-2-yl-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 26313190
N-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 129055481
2-(1H-indol-2-yl)-3-methoxy-1-pyrrolidin-1-ylpropan-1-one
CID 91485624
(2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724302
3-[5-[4-(piperidin-1-ylmethyl)benzoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
CID 135980545
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-2-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[1-(1H-indol-2-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide (CID 72895408) is N-[1-(1H-indol-2-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[1-(1H-indol-2-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[1-(1H-indol-2-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide is CC(c1cc2ccccc2[nH]1)N(C)C(=O)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[1-(1H-indol-2-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is ADBXLJBPJOTGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-18(23-16-21-8-4-5-9-22(21)25-23)26(2)24(28)20-12-10-19(11-13-20)17-27-14-6-3-7-15-27/h4-5,8-13,16,18,25H,3,6-7,14-15,17H2,1-2H3.
What are the key properties of N-[1-(1H-indol-2-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide?
N-[1-(1H-indol-2-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 375.52 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-2-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 72895408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).