4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride

C18H27Cl2N7O — CID 120939658

IUPAC4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCCN(c2ncccn2)C1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C18H25N7O.2ClH/c26-16(18(5-10-19-11-6-18)25-13-3-9-22-25)23-15-4-1-12-24(14-15)17-20-7-2-8-21-17;;/h2-3,7-9,13,15,19H,1,4-6,10-12,14H2,(H,23,26);2*1H
InChIKeyNNGSEZVVHQYSKO-UHFFFAOYSA-N
MW428.37 g/mol
LogP1.38
Rot. Bonds4

About 4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride

4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride (PubChem CID 120939658) has the molecular formula C18H27Cl2N7O and a molecular weight of 428.37 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
PubChem CID120939658
Molecular FormulaC18H27Cl2N7O
Molecular Weight428.37 g/mol
Exact Mass427.17
IUPAC Name4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCCN(c2ncccn2)C1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C18H25N7O.2ClH/c26-16(18(5-10-19-11-6-18)25-13-3-9-22-25)23-15-4-1-12-24(14-15)17-20-7-2-8-21-17;;/h2-3,7-9,13,15,19H,1,4-6,10-12,14H2,(H,23,26);2*1H
InChIKeyNNGSEZVVHQYSKO-UHFFFAOYSA-N
XLogP1.38
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide
CID 43712323
N-(3-methylsulfanylcyclohexyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120934039
N-(1,2-dimethylpiperidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120941761
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120939665
(4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 120937777
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939666
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120937008
(2S)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-2-carboxamide;dihydrochloride
CID 119857927
(2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 95134540
3-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)oxolane-3-carboxamide
CID 64892126

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride (CID 120939658) is 4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCCN(c2ncccn2)C1)C1(n2cccn2)CCNCC1.
What is the InChIKey of 4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride?
The InChIKey is NNGSEZVVHQYSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O.2ClH/c26-16(18(5-10-19-11-6-18)25-13-3-9-22-25)23-15-4-1-12-24(14-15)17-20-7-2-8-21-17;;/h2-3,7-9,13,15,19H,1,4-6,10-12,14H2,(H,23,26);2*1H.
What are the key properties of 4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride?
4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride has a molecular weight of 428.37 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120939658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).