N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide

C24H29N3O — CID 159882608

IUPACN-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
SMILESCc1cccc(CN2CCC(CN(C)C(=O)c3cc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C24H29N3O/c1-18-6-5-7-20(14-18)17-27-12-10-19(11-13-27)16-26(2)24(28)23-15-21-8-3-4-9-22(21)25-23/h3-9,14-15,19,25H,10-13,16-17H2,1-2H3
InChIKeyJVKWDUZJFKYQBM-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.46
Rot. Bonds5

About N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide

N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 159882608) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
PubChem CID159882608
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
SMILESCc1cccc(CN2CCC(CN(C)C(=O)c3cc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C24H29N3O/c1-18-6-5-7-20(14-18)17-27-12-10-19(11-13-27)16-26(2)24(28)23-15-21-8-3-4-9-22(21)25-23/h3-9,14-15,19,25H,10-13,16-17H2,1-2H3
InChIKeyJVKWDUZJFKYQBM-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 140931172
N-[(1-benzylpiperidin-4-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 129055481
N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
CID 63707249
N-benzyl-N-methyl-1-[(3-methylphenyl)methyl]piperidin-4-amine;oxalic acid
CID 17369343
N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 43421002
2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 82548262
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 129055670
N-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931134
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide
CID 17221703
N-methoxy-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 54306558
methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980866
2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 114802511

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide (CID 159882608) is N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide is Cc1cccc(CN2CCC(CN(C)C(=O)c3cc4ccccc4[nH]3)CC2)c1.
What is the InChIKey of N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is JVKWDUZJFKYQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-18-6-5-7-20(14-18)17-27-12-10-19(11-13-27)16-26(2)24(28)23-15-21-8-3-4-9-22(21)25-23/h3-9,14-15,19,25H,10-13,16-17H2,1-2H3.
What are the key properties of N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide?
N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 159882608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).