(3-methyl-3-phenylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride

C21H29ClN4O — CID 120932921

IUPAC(3-methyl-3-phenylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
SMILESCC1(c2ccccc2)CCCN(C(=O)C2(n3cccn3)CCNCC2)C1.Cl
InChIInChI=1S/C21H28N4O.ClH/c1-20(18-7-3-2-4-8-18)9-5-15-24(17-20)19(26)21(10-13-22-14-11-21)25-16-6-12-23-25;/h2-4,6-8,12,16,22H,5,9-11,13-15,17H2,1H3;1H
InChIKeyWLVMLXUNZCJUHL-UHFFFAOYSA-N
MW388.94 g/mol
LogP2.96
Rot. Bonds3

About (3-methyl-3-phenylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride

(3-methyl-3-phenylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride (PubChem CID 120932921) has the molecular formula C21H29ClN4O and a molecular weight of 388.94 g/mol. Its IUPAC name is (3-methyl-3-phenylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-methyl-3-phenylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
PubChem CID120932921
Molecular FormulaC21H29ClN4O
Molecular Weight388.94 g/mol
Exact Mass388.20
IUPAC Name(3-methyl-3-phenylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
SMILESCC1(c2ccccc2)CCCN(C(=O)C2(n3cccn3)CCNCC2)C1.Cl
InChIInChI=1S/C21H28N4O.ClH/c1-20(18-7-3-2-4-8-18)9-5-15-24(17-20)19(26)21(10-13-22-14-11-21)25-16-6-12-23-25;/h2-4,6-8,12,16,22H,5,9-11,13-15,17H2,1H3;1H
InChIKeyWLVMLXUNZCJUHL-UHFFFAOYSA-N
XLogP2.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120918643
[(3R)-3-methyl-3-phenylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone
CID 97127397
6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120933196
(4-fluorophenyl)-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 120922404
(4-ethyl-4-methylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120930116
morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120917128
[3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940910
[4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120937676
8-oxa-2-azaspiro[4.5]decan-2-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120936794
(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 120918557
(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940660
4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride
CID 120920971

Frequently Asked Questions

What is the IUPAC name of (3-methyl-3-phenylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride?
The IUPAC name of (3-methyl-3-phenylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride (CID 120932921) is (3-methyl-3-phenylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for (3-methyl-3-phenylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride?
The canonical SMILES for (3-methyl-3-phenylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride is CC1(c2ccccc2)CCCN(C(=O)C2(n3cccn3)CCNCC2)C1.Cl.
What is the InChIKey of (3-methyl-3-phenylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride?
The InChIKey is WLVMLXUNZCJUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O.ClH/c1-20(18-7-3-2-4-8-18)9-5-15-24(17-20)19(26)21(10-13-22-14-11-21)25-16-6-12-23-25;/h2-4,6-8,12,16,22H,5,9-11,13-15,17H2,1H3;1H.
What are the key properties of (3-methyl-3-phenylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride?
(3-methyl-3-phenylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride has a molecular weight of 388.94 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3-phenylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 120932921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).