1-(cyclohexanecarbonyl)-N-(cyclopropylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide

C20H30N4O2 — CID 155875526

IUPAC1-(cyclohexanecarbonyl)-N-(cyclopropylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(C1CCCCC1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1
InChIInChI=1S/C20H30N4O2/c25-18(17-5-2-1-3-6-17)23-13-9-20(10-14-23,24-12-4-11-22-24)19(26)21-15-16-7-8-16/h4,11-12,16-17H,1-3,5-10,13-15H2,(H,21,26)
InChIKeyAVSLDNOGZMIDET-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.31
Rot. Bonds5

About 1-(cyclohexanecarbonyl)-N-(cyclopropylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide

1-(cyclohexanecarbonyl)-N-(cyclopropylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 155875526) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-N-(cyclopropylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-N-(cyclopropylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID155875526
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-(cyclohexanecarbonyl)-N-(cyclopropylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(C1CCCCC1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1
InChIInChI=1S/C20H30N4O2/c25-18(17-5-2-1-3-6-17)23-13-9-20(10-14-23,24-12-4-11-22-24)19(26)21-15-16-7-8-16/h4,11-12,16-17H,1-3,5-10,13-15H2,(H,21,26)
InChIKeyAVSLDNOGZMIDET-UHFFFAOYSA-N
XLogP2.31
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-N-(cyclopropylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(cyclohexanecarbonyl)-N-(cyclopropylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 155875526) is 1-(cyclohexanecarbonyl)-N-(cyclopropylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-N-(cyclopropylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(cyclohexanecarbonyl)-N-(cyclopropylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide is O=C(C1CCCCC1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-N-(cyclopropylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is AVSLDNOGZMIDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c25-18(17-5-2-1-3-6-17)23-13-9-20(10-14-23,24-12-4-11-22-24)19(26)21-15-16-7-8-16/h4,11-12,16-17H,1-3,5-10,13-15H2,(H,21,26).
What are the key properties of 1-(cyclohexanecarbonyl)-N-(cyclopropylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
1-(cyclohexanecarbonyl)-N-(cyclopropylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-N-(cyclopropylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 155875526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).