N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C21H36ClN5O — CID 120918503

IUPACN-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(N2CCCCC2)CCCCC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C21H35N5O.ClH/c27-19(21(10-13-22-14-11-21)26-17-7-12-24-26)23-18-20(8-3-1-4-9-20)25-15-5-2-6-16-25;/h7,12,17,22H,1-6,8-11,13-16,18H2,(H,23,27);1H
InChIKeyIFTBIWJYOMAVKU-UHFFFAOYSA-N
MW410.01 g/mol
LogP2.69
Rot. Bonds5

About N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120918503) has the molecular formula C21H36ClN5O and a molecular weight of 410.01 g/mol. Its IUPAC name is N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120918503
Molecular FormulaC21H36ClN5O
Molecular Weight410.01 g/mol
Exact Mass409.26
IUPAC NameN-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(N2CCCCC2)CCCCC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C21H35N5O.ClH/c27-19(21(10-13-22-14-11-21)26-17-7-12-24-26)23-18-20(8-3-1-4-9-20)25-15-5-2-6-16-25;/h7,12,17,22H,1-6,8-11,13-16,18H2,(H,23,27);1H
InChIKeyIFTBIWJYOMAVKU-UHFFFAOYSA-N
XLogP2.69
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.01
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938113
N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932245
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937895
N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120933221
N-[(2-methylthiolan-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935930
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120937238
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120936238
4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
CID 120924691
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937231
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120927856
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
CID 120924676
N-(2,2-dimethylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922205

Frequently Asked Questions

What is the IUPAC name of N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120918503) is N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cl.O=C(NCC1(N2CCCCC2)CCCCC1)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is IFTBIWJYOMAVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O.ClH/c27-19(21(10-13-22-14-11-21)26-17-7-12-24-26)23-18-20(8-3-1-4-9-20)25-15-5-2-6-16-25;/h7,12,17,22H,1-6,8-11,13-16,18H2,(H,23,27);1H.
What are the key properties of N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 410.01 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120918503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).