1-methyl-N-[1-(3-methyl-2H-indazol-5-yl)ethyl]piperidine-4-carboxamide

C17H24N4O — CID 167064897

IUPAC1-methyl-N-[1-(3-methyl-2H-indazol-5-yl)ethyl]piperidine-4-carboxamide
SMILESCc1[nH]nc2ccc(C(C)NC(=O)C3CCN(C)CC3)cc12
InChIInChI=1S/C17H24N4O/c1-11(18-17(22)13-6-8-21(3)9-7-13)14-4-5-16-15(10-14)12(2)19-20-16/h4-5,10-11,13H,6-9H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyDFCLDMWOQRTUDM-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.39
Rot. Bonds3

About 1-methyl-N-[1-(3-methyl-2H-indazol-5-yl)ethyl]piperidine-4-carboxamide

1-methyl-N-[1-(3-methyl-2H-indazol-5-yl)ethyl]piperidine-4-carboxamide (PubChem CID 167064897) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-methyl-N-[1-(3-methyl-2H-indazol-5-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(3-methyl-2H-indazol-5-yl)ethyl]piperidine-4-carboxamide
PubChem CID167064897
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-methyl-N-[1-(3-methyl-2H-indazol-5-yl)ethyl]piperidine-4-carboxamide
SMILESCc1[nH]nc2ccc(C(C)NC(=O)C3CCN(C)CC3)cc12
InChIInChI=1S/C17H24N4O/c1-11(18-17(22)13-6-8-21(3)9-7-13)14-4-5-16-15(10-14)12(2)19-20-16/h4-5,10-11,13H,6-9H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyDFCLDMWOQRTUDM-UHFFFAOYSA-N
XLogP2.39
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide
CID 132649676
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 30207052
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide
CID 31462274
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]cyclopropanecarboxamide
CID 94487664
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43707174
4-[1-(3,4-dimethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672658
N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46766661
(3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95904024
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 43873049
1-(2-methoxyacetyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide
CID 97283398
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 167375381
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013963

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(3-methyl-2H-indazol-5-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-(3-methyl-2H-indazol-5-yl)ethyl]piperidine-4-carboxamide (CID 167064897) is 1-methyl-N-[1-(3-methyl-2H-indazol-5-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(3-methyl-2H-indazol-5-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(3-methyl-2H-indazol-5-yl)ethyl]piperidine-4-carboxamide is Cc1[nH]nc2ccc(C(C)NC(=O)C3CCN(C)CC3)cc12.
What is the InChIKey of 1-methyl-N-[1-(3-methyl-2H-indazol-5-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is DFCLDMWOQRTUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11(18-17(22)13-6-8-21(3)9-7-13)14-4-5-16-15(10-14)12(2)19-20-16/h4-5,10-11,13H,6-9H2,1-3H3,(H,18,22)(H,19,20).
What are the key properties of 1-methyl-N-[1-(3-methyl-2H-indazol-5-yl)ethyl]piperidine-4-carboxamide?
1-methyl-N-[1-(3-methyl-2H-indazol-5-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(3-methyl-2H-indazol-5-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 167064897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).