N-(1,2-dimethylpiperidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride

C16H29Cl2N5O — CID 120941761

IUPACN-(1,2-dimethylpiperidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCC1CC(NC(=O)C2(n3cccn3)CCNCC2)CCN1C.Cl.Cl
InChIInChI=1S/C16H27N5O.2ClH/c1-13-12-14(4-11-20(13)2)19-15(22)16(5-8-17-9-6-16)21-10-3-7-18-21;;/h3,7,10,13-14,17H,4-6,8-9,11-12H2,1-2H3,(H,19,22);2*1H
InChIKeyCVOXQBMOVMNJDN-UHFFFAOYSA-N
MW378.35 g/mol
LogP1.40
Rot. Bonds3

About N-(1,2-dimethylpiperidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride

N-(1,2-dimethylpiperidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 120941761) has the molecular formula C16H29Cl2N5O and a molecular weight of 378.35 g/mol. Its IUPAC name is N-(1,2-dimethylpiperidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1,2-dimethylpiperidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
PubChem CID120941761
Molecular FormulaC16H29Cl2N5O
Molecular Weight378.35 g/mol
Exact Mass377.17
IUPAC NameN-(1,2-dimethylpiperidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCC1CC(NC(=O)C2(n3cccn3)CCNCC2)CCN1C.Cl.Cl
InChIInChI=1S/C16H27N5O.2ClH/c1-13-12-14(4-11-20(13)2)19-15(22)16(5-8-17-9-6-16)21-10-3-7-18-21;;/h3,7,10,13-14,17H,4-6,8-9,11-12H2,1-2H3,(H,19,22);2*1H
InChIKeyCVOXQBMOVMNJDN-UHFFFAOYSA-N
XLogP1.40
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2-methoxyethyl)piperidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939906
N-(1-cyclopropylpyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120940159
N-(3-methylsulfanylcyclohexyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120934039
N-(1,2-dimethylpiperidin-4-yl)-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119886301
4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 120939658
N-[(2-methylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924383
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120937008
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120939665
N-(1-cyclopropylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919574
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939666
N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925026

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylpiperidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(1,2-dimethylpiperidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride (CID 120941761) is N-(1,2-dimethylpiperidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1,2-dimethylpiperidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(1,2-dimethylpiperidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride is CC1CC(NC(=O)C2(n3cccn3)CCNCC2)CCN1C.Cl.Cl.
What is the InChIKey of N-(1,2-dimethylpiperidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is CVOXQBMOVMNJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O.2ClH/c1-13-12-14(4-11-20(13)2)19-15(22)16(5-8-17-9-6-16)21-10-3-7-18-21;;/h3,7,10,13-14,17H,4-6,8-9,11-12H2,1-2H3,(H,19,22);2*1H.
What are the key properties of N-(1,2-dimethylpiperidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
N-(1,2-dimethylpiperidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 378.35 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylpiperidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120941761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).