[3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride

C16H29Cl2N5O — CID 120940910

IUPAC[3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
SMILESCN(C)C1CCCN(C(=O)C2(n3cccn3)CCNCC2)C1.Cl.Cl
InChIInChI=1S/C16H27N5O.2ClH/c1-19(2)14-5-3-11-20(13-14)15(22)16(6-9-17-10-7-16)21-12-4-8-18-21;;/h4,8,12,14,17H,3,5-7,9-11,13H2,1-2H3;2*1H
InChIKeyOETUKDDOOKOKBL-UHFFFAOYSA-N
MW378.35 g/mol
LogP1.36
Rot. Bonds3

About [3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride

[3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride (PubChem CID 120940910) has the molecular formula C16H29Cl2N5O and a molecular weight of 378.35 g/mol. Its IUPAC name is [3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
PubChem CID120940910
Molecular FormulaC16H29Cl2N5O
Molecular Weight378.35 g/mol
Exact Mass377.17
IUPAC Name[3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
SMILESCN(C)C1CCCN(C(=O)C2(n3cccn3)CCNCC2)C1.Cl.Cl
InChIInChI=1S/C16H27N5O.2ClH/c1-19(2)14-5-3-11-20(13-14)15(22)16(6-9-17-10-7-16)21-12-4-8-18-21;;/h4,8,12,14,17H,3,5-7,9-11,13H2,1-2H3;2*1H
InChIKeyOETUKDDOOKOKBL-UHFFFAOYSA-N
XLogP1.36
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(diethylamino)pyrrolidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120938728
(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 120918557
N-methyl-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-3-carboxamide
CID 120932432
(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 120918558
N-cyclopentyl-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920310
N-cyclohexyl-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120916893
N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride
CID 120929389
(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940660
(4-pyrazol-1-ylpiperidin-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 120936316
(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120940661
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

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
The IUPAC name of [3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride (CID 120940910) is [3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride is CN(C)C1CCCN(C(=O)C2(n3cccn3)CCNCC2)C1.Cl.Cl.
What is the InChIKey of [3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
The InChIKey is OETUKDDOOKOKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O.2ClH/c1-19(2)14-5-3-11-20(13-14)15(22)16(6-9-17-10-7-16)21-12-4-8-18-21;;/h4,8,12,14,17H,3,5-7,9-11,13H2,1-2H3;2*1H.
What are the key properties of [3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
[3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride has a molecular weight of 378.35 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 120940910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).