1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide

C21H34N4O2 — CID 24793140

IUPAC1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C21H34N4O2/c1-15-19(16(2)24(4)22-15)14-23(3)21(27)17-11-12-20(26)25(13-17)18-9-7-5-6-8-10-18/h17-18H,5-14H2,1-4H3
InChIKeyAZHBDAIXOQIHQZ-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.96
Rot. Bonds4

About 1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide

1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 24793140) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID24793140
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C21H34N4O2/c1-15-19(16(2)24(4)22-15)14-23(3)21(27)17-11-12-20(26)25(13-17)18-9-7-5-6-8-10-18/h17-18H,5-14H2,1-4H3
InChIKeyAZHBDAIXOQIHQZ-UHFFFAOYSA-N
XLogP2.96
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 24793140) is 1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide is Cc1nn(C)c(C)c1CN(C)C(=O)C1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of 1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is AZHBDAIXOQIHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-15-19(16(2)24(4)22-15)14-23(3)21(27)17-11-12-20(26)25(13-17)18-9-7-5-6-8-10-18/h17-18H,5-14H2,1-4H3.
What are the key properties of 1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24793140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).