N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C22H29N5O2 — CID 120936580

IUPACN-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1)C1CCCCC1
InChIInChI=1S/C22H29N5O2/c28-20(17-6-2-1-3-7-17)25-18-8-4-9-19(16-18)26-21(29)22(10-13-23-14-11-22)27-15-5-12-24-27/h4-5,8-9,12,15-17,23H,1-3,6-7,10-11,13-14H2,(H,25,28)(H,26,29)
InChIKeyBESDRUSTIDUOLU-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.12
Rot. Bonds5

About N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120936580) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120936580
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1)C1CCCCC1
InChIInChI=1S/C22H29N5O2/c28-20(17-6-2-1-3-7-17)25-18-8-4-9-19(16-18)26-21(29)22(10-13-23-14-11-22)27-15-5-12-24-27/h4-5,8-9,12,15-17,23H,1-3,6-7,10-11,13-14H2,(H,25,28)(H,26,29)
InChIKeyBESDRUSTIDUOLU-UHFFFAOYSA-N
XLogP3.12
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 120939642
N-[3-(cyclohexyloxymethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120928288
N-(3-fluorophenyl)-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-4-carboxamide
CID 120930189
N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924327
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926534
N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932209
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924061
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918876

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120936580) is N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is O=C(Nc1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1)C1CCCCC1.
What is the InChIKey of N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is BESDRUSTIDUOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c28-20(17-6-2-1-3-7-17)25-18-8-4-9-19(16-18)26-21(29)22(10-13-23-14-11-22)27-15-5-12-24-27/h4-5,8-9,12,15-17,23H,1-3,6-7,10-11,13-14H2,(H,25,28)(H,26,29).
What are the key properties of N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120936580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).