1-[3-(3-chlorobenzoyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one

C19H22ClN3O2 — CID 118762209

IUPAC1-[3-(3-chlorobenzoyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)N1CCCC(C(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C19H22ClN3O2/c1-22-17(9-10-21-22)7-8-18(24)23-11-3-5-15(13-23)19(25)14-4-2-6-16(20)12-14/h2,4,6,9-10,12,15H,3,5,7-8,11,13H2,1H3
InChIKeyRFPZWGQOPFTEOS-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.13
Rot. Bonds5

About 1-[3-(3-chlorobenzoyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one

1-[3-(3-chlorobenzoyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one (PubChem CID 118762209) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 1-[3-(3-chlorobenzoyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(3-chlorobenzoyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
PubChem CID118762209
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name1-[3-(3-chlorobenzoyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)N1CCCC(C(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C19H22ClN3O2/c1-22-17(9-10-21-22)7-8-18(24)23-11-3-5-15(13-23)19(25)14-4-2-6-16(20)12-14/h2,4,6,9-10,12,15H,3,5,7-8,11,13H2,1H3
InChIKeyRFPZWGQOPFTEOS-UHFFFAOYSA-N
XLogP3.13
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S,4S)-4-(3-chlorophenoxy)-3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 110078837
1-[4-[(3-chlorophenoxy)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 110079742
3-(2-methylpyrazol-3-yl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one
CID 124989317
3-[2-[3-(3-chlorobenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
CID 72842853
1-[2-[3-(3-chlorobenzoyl)piperidine-1-carbonyl]phenyl]ethanone
CID 45202769
(3-chlorophenyl)-[1-(2-hydroxyethyl)piperidin-3-yl]methanone
CID 126462062
(3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide
CID 42462168
CID 70315573
CID 70315573
3-(2-methylpyrazol-3-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
CID 118740370
1-[(3S,4S)-4-(3-bromophenoxy)-3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 110079638
1-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 26331996
(3-chlorophenyl)-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone
CID 42288727

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorobenzoyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The IUPAC name of 1-[3-(3-chlorobenzoyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one (CID 118762209) is 1-[3-(3-chlorobenzoyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-[3-(3-chlorobenzoyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-[3-(3-chlorobenzoyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one is Cn1nccc1CCC(=O)N1CCCC(C(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of 1-[3-(3-chlorobenzoyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The InChIKey is RFPZWGQOPFTEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-22-17(9-10-21-22)7-8-18(24)23-11-3-5-15(13-23)19(25)14-4-2-6-16(20)12-14/h2,4,6,9-10,12,15H,3,5,7-8,11,13H2,1H3.
What are the key properties of 1-[3-(3-chlorobenzoyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
1-[3-(3-chlorobenzoyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one has a molecular weight of 359.86 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorobenzoyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 118762209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).