4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide

C18H25N3O — CID 113087330

IUPAC4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCc1[nH]c2ccccc2c1C1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C18H25N3O/c1-12(2)19-18(22)21-10-8-14(9-11-21)17-13(3)20-16-7-5-4-6-15(16)17/h4-7,12,14,20H,8-11H2,1-3H3,(H,19,22)
InChIKeyCXLWMHCKTCAEOL-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.77
Rot. Bonds2

About 4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide

4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 113087330) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID113087330
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCc1[nH]c2ccccc2c1C1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C18H25N3O/c1-12(2)19-18(22)21-10-8-14(9-11-21)17-13(3)20-16-7-5-4-6-15(16)17/h4-7,12,14,20H,8-11H2,1-3H3,(H,19,22)
InChIKeyCXLWMHCKTCAEOL-UHFFFAOYSA-N
XLogP3.77
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.77
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

cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087328
(2R)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
CID 52537917
[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113087329
4-methoxy-N-[3-methyl-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 60552904
2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087318
2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 47320292
N-[1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 60552877
2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087303
5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol
CID 110923848
1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-(2-nitrophenyl)ethanone
CID 60552261
3-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-1H-indole
CID 113087336
1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-quinolin-8-ylethanone
CID 86821360

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide (CID 113087330) is 4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide is Cc1[nH]c2ccccc2c1C1CCN(C(=O)NC(C)C)CC1.
What is the InChIKey of 4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is CXLWMHCKTCAEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-12(2)19-18(22)21-10-8-14(9-11-21)17-13(3)20-16-7-5-4-6-15(16)17/h4-7,12,14,20H,8-11H2,1-3H3,(H,19,22).
What are the key properties of 4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide?
4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 3.77, 2 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)-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 113087330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).