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

C23H27N3O — CID 55911141

IUPAC1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide
SMILESCc1ccccc1CN1CCC(NC(=O)c2cc3ccccc3n2C)CC1
InChIInChI=1S/C23H27N3O/c1-17-7-3-4-9-19(17)16-26-13-11-20(12-14-26)24-23(27)22-15-18-8-5-6-10-21(18)25(22)2/h3-10,15,20H,11-14,16H2,1-2H3,(H,24,27)
InChIKeyGCXPRGBBCJUCNZ-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.88
Rot. Bonds4

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

1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide (PubChem CID 55911141) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide
PubChem CID55911141
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide
SMILESCc1ccccc1CN1CCC(NC(=O)c2cc3ccccc3n2C)CC1
InChIInChI=1S/C23H27N3O/c1-17-7-3-4-9-19(17)16-26-13-11-20(12-14-26)24-23(27)22-15-18-8-5-6-10-21(18)25(22)2/h3-10,15,20H,11-14,16H2,1-2H3,(H,24,27)
InChIKeyGCXPRGBBCJUCNZ-UHFFFAOYSA-N
XLogP3.88
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 142244434
1-methyl-N-piperidin-4-ylindole-2-carboxamide
CID 110468893
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide
CID 136577828
N-cyclopropyl-1,4-dimethylindole-2-carboxamide
CID 110847973
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043015
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide
CID 55753843
3-chloro-4-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 119047224
2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 87020158
5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55754112
3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)benzamide
CID 55753935
N-[(1S,2R)-2-[(1-benzylpyrrolidin-3-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 58808291
N-(2-ethyl-6-methylphenyl)-1-methylindole-2-carboxamide
CID 113207081

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide?
The IUPAC name of 1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide (CID 55911141) is 1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide is Cc1ccccc1CN1CCC(NC(=O)c2cc3ccccc3n2C)CC1.
What is the InChIKey of 1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide?
The InChIKey is GCXPRGBBCJUCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-17-7-3-4-9-19(17)16-26-13-11-20(12-14-26)24-23(27)22-15-18-8-5-6-10-21(18)25(22)2/h3-10,15,20H,11-14,16H2,1-2H3,(H,24,27).
What are the key properties of 1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide?
1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide is sourced from PubChem (CID 55911141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).