4-[(2-methyl-1H-indol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide

C22H25N3O — CID 113086637

IUPAC4-[(2-methyl-1H-indol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide
SMILESCc1[nH]c2ccccc2c1CC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H25N3O/c1-16-20(19-9-5-6-10-21(19)23-16)15-17-11-13-25(14-12-17)22(26)24-18-7-3-2-4-8-18/h2-10,17,23H,11-15H2,1H3,(H,24,26)
InChIKeyJGKMLMPMVBLKPI-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.96
Rot. Bonds3

About 4-[(2-methyl-1H-indol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide

4-[(2-methyl-1H-indol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 113086637) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[(2-methyl-1H-indol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-methyl-1H-indol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide
PubChem CID113086637
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name4-[(2-methyl-1H-indol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide
SMILESCc1[nH]c2ccccc2c1CC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H25N3O/c1-16-20(19-9-5-6-10-21(19)23-16)15-17-11-13-25(14-12-17)22(26)24-18-7-3-2-4-8-18/h2-10,17,23H,11-15H2,1H3,(H,24,26)
InChIKeyJGKMLMPMVBLKPI-UHFFFAOYSA-N
XLogP4.96
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[4-[(2-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone
CID 113086605
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide
CID 110196463
2-methyl-3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole
CID 113086652
1-acetyl-N-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxamide
CID 110794090
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
3-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-2-methyl-1H-indole
CID 113086654
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea
CID 110775881
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide
CID 92731331
N-[[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80550988
(3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 95604431

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1H-indol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[(2-methyl-1H-indol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide (CID 113086637) is 4-[(2-methyl-1H-indol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-methyl-1H-indol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(2-methyl-1H-indol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide is Cc1[nH]c2ccccc2c1CC1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[(2-methyl-1H-indol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is JGKMLMPMVBLKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-20(19-9-5-6-10-21(19)23-16)15-17-11-13-25(14-12-17)22(26)24-18-7-3-2-4-8-18/h2-10,17,23H,11-15H2,1H3,(H,24,26).
What are the key properties of 4-[(2-methyl-1H-indol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide?
4-[(2-methyl-1H-indol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1H-indol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 113086637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).