1-[1-[4-[(4-chloro-3-methylphenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone

C19H22ClN3O3 — CID 161319932

IUPAC1-[1-[4-[(4-chloro-3-methylphenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC(OCc3ccc(Cl)c(C)c3)CC2)n1
InChIInChI=1S/C19H22ClN3O3/c1-13-11-15(3-4-17(13)20)12-26-16-5-8-22(9-6-16)19(25)23-10-7-18(21-23)14(2)24/h3-4,7,10-11,16H,5-6,8-9,12H2,1-2H3
InChIKeyZERYJMNCIYVWLR-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.70
Rot. Bonds4

About 1-[1-[4-[(4-chloro-3-methylphenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone

1-[1-[4-[(4-chloro-3-methylphenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 161319932) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 1-[1-[4-[(4-chloro-3-methylphenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[4-[(4-chloro-3-methylphenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone
PubChem CID161319932
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name1-[1-[4-[(4-chloro-3-methylphenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC(OCc3ccc(Cl)c(C)c3)CC2)n1
InChIInChI=1S/C19H22ClN3O3/c1-13-11-15(3-4-17(13)20)12-26-16-5-8-22(9-6-16)19(25)23-10-7-18(21-23)14(2)24/h3-4,7,10-11,16H,5-6,8-9,12H2,1-2H3
InChIKeyZERYJMNCIYVWLR-UHFFFAOYSA-N
XLogP3.70
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(3,5-dichlorophenyl)methoxy]piperidin-1-yl]-[3-(dihydroxymethyl)pyrazol-1-yl]methanone
CID 170014379
1-[1-[(2S,4R)-4-[[3-(4-chlorophenoxy)phenyl]methoxy]-2-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone
CID 159953629
(2S)-2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 119339045
1-[1-[2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone
CID 158998407
2-(cyclopropylmethylamino)-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]ethanone;hydrochloride
CID 119810709
bis(1-[1-[(3aS,6aR)-5-[(3-phenylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);1-[1-[(3aR,6aS)-5-[(3-phenylphenyl)methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-chloro-5-methylphenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-chloro-3-methylphenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone
CID 163795663
4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methoxybutan-1-one;hydrochloride
CID 120593766
4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one
CID 75513595
2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methylpentan-1-one
CID 119810716
1-[1-[4-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone
CID 157219149
1-[1-[(3aR,6aS)-5-[[3-chloro-2-(trifluoromethyl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone
CID 158744640
N-[1-[4-[(4-chloro-3-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 158059799

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[(4-chloro-3-methylphenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-[4-[(4-chloro-3-methylphenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone (CID 161319932) is 1-[1-[4-[(4-chloro-3-methylphenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[4-[(4-chloro-3-methylphenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[4-[(4-chloro-3-methylphenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCC(OCc3ccc(Cl)c(C)c3)CC2)n1.
What is the InChIKey of 1-[1-[4-[(4-chloro-3-methylphenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is ZERYJMNCIYVWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-13-11-15(3-4-17(13)20)12-26-16-5-8-22(9-6-16)19(25)23-10-7-18(21-23)14(2)24/h3-4,7,10-11,16H,5-6,8-9,12H2,1-2H3.
What are the key properties of 1-[1-[4-[(4-chloro-3-methylphenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone?
1-[1-[4-[(4-chloro-3-methylphenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 375.86 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[(4-chloro-3-methylphenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 161319932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).