[4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride

C20H35Cl2N5O — CID 120938714

IUPAC[4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(N1CCN(CC2CCCCC2)CC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C20H33N5O.2ClH/c26-19(20(7-10-21-11-8-20)25-12-4-9-22-25)24-15-13-23(14-16-24)17-18-5-2-1-3-6-18;;/h4,9,12,18,21H,1-3,5-8,10-11,13-17H2;2*1H
InChIKeyNDXZZDCVUYZAEX-UHFFFAOYSA-N
MW432.44 g/mol
LogP2.53
Rot. Bonds4

About [4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride

[4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride (PubChem CID 120938714) has the molecular formula C20H35Cl2N5O and a molecular weight of 432.44 g/mol. Its IUPAC name is [4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
PubChem CID120938714
Molecular FormulaC20H35Cl2N5O
Molecular Weight432.44 g/mol
Exact Mass431.22
IUPAC Name[4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(N1CCN(CC2CCCCC2)CC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C20H33N5O.2ClH/c26-19(20(7-10-21-11-8-20)25-12-4-9-22-25)24-15-13-23(14-16-24)17-18-5-2-1-3-6-18;;/h4,9,12,18,21H,1-3,5-8,10-11,13-17H2;2*1H
InChIKeyNDXZZDCVUYZAEX-UHFFFAOYSA-N
XLogP2.53
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120939296
(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940660
(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120940661
N,N-dimethyl-3-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]propanamide
CID 120942451
[4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120931342
morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120917128
[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120941863
4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride
CID 120920971
(4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 120937777
N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride
CID 120923593
(4-ethyl-4-methylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120930116
[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120930215

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
The IUPAC name of [4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride (CID 120938714) is [4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride is Cl.Cl.O=C(N1CCN(CC2CCCCC2)CC1)C1(n2cccn2)CCNCC1.
What is the InChIKey of [4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
The InChIKey is NDXZZDCVUYZAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O.2ClH/c26-19(20(7-10-21-11-8-20)25-12-4-9-22-25)24-15-13-23(14-16-24)17-18-5-2-1-3-6-18;;/h4,9,12,18,21H,1-3,5-8,10-11,13-17H2;2*1H.
What are the key properties of [4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
[4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride has a molecular weight of 432.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 120938714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).