N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C21H28ClN5O2 — CID 120935433

IUPACN-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(N2CCCC(NC(=O)C3(n4cccn4)CCNCC3)C2=O)cc1.Cl
InChIInChI=1S/C21H27N5O2.ClH/c1-16-5-7-17(8-6-16)25-14-2-4-18(19(25)27)24-20(28)21(9-12-22-13-10-21)26-15-3-11-23-26;/h3,5-8,11,15,18,22H,2,4,9-10,12-14H2,1H3,(H,24,28);1H
InChIKeySOWBVJXVGKUSIW-UHFFFAOYSA-N
MW417.94 g/mol
LogP2.00
Rot. Bonds4

About N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120935433) has the molecular formula C21H28ClN5O2 and a molecular weight of 417.94 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120935433
Molecular FormulaC21H28ClN5O2
Molecular Weight417.94 g/mol
Exact Mass417.19
IUPAC NameN-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(N2CCCC(NC(=O)C3(n4cccn4)CCNCC3)C2=O)cc1.Cl
InChIInChI=1S/C21H27N5O2.ClH/c1-16-5-7-17(8-6-16)25-14-2-4-18(19(25)27)24-20(28)21(9-12-22-13-10-21)26-15-3-11-23-26;/h3,5-8,11,15,18,22H,2,4,9-10,12-14H2,1H3,(H,24,28);1H
InChIKeySOWBVJXVGKUSIW-UHFFFAOYSA-N
XLogP2.00
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120932670
N-(1-benzyl-2-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120928772
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919261
N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120928544
4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 120939658
N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidine-3-carboxamide
CID 119336564
2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride
CID 119336545
N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120931190
N-(1-cyclopropylpyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120940159
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920206
(4-methylphenyl)-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]methanone
CID 120926910
N-(1,2-dimethylpiperidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120941761

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120935433) is N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cc1ccc(N2CCCC(NC(=O)C3(n4cccn4)CCNCC3)C2=O)cc1.Cl.
What is the InChIKey of N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is SOWBVJXVGKUSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2.ClH/c1-16-5-7-17(8-6-16)25-14-2-4-18(19(25)27)24-20(28)21(9-12-22-13-10-21)26-15-3-11-23-26;/h3,5-8,11,15,18,22H,2,4,9-10,12-14H2,1H3,(H,24,28);1H.
What are the key properties of N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120935433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).