3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one

C18H23ClN4O — CID 118773858

IUPAC3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCn1cc(Cl)cn1)N1CCCCC1CCc1ccccn1
InChIInChI=1S/C18H23ClN4O/c19-15-13-21-22(14-15)12-9-18(24)23-11-4-2-6-17(23)8-7-16-5-1-3-10-20-16/h1,3,5,10,13-14,17H,2,4,6-9,11-12H2
InChIKeyDFSSKPMLYNPHQU-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.34
Rot. Bonds6

About 3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one

3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one (PubChem CID 118773858) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one
PubChem CID118773858
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCn1cc(Cl)cn1)N1CCCCC1CCc1ccccn1
InChIInChI=1S/C18H23ClN4O/c19-15-13-21-22(14-15)12-9-18(24)23-11-4-2-6-17(23)8-7-16-5-1-3-10-20-16/h1,3,5,10,13-14,17H,2,4,6-9,11-12H2
InChIKeyDFSSKPMLYNPHQU-UHFFFAOYSA-N
XLogP3.34
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one
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1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
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1-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
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3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
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1-[2-(hydroxymethyl)azepan-1-yl]-3-pyridin-2-ylpropan-1-one
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2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione
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N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
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3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one
CID 45211722
1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 99929974
3-amino-N-[[1-(3-pyridin-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
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2-(2-phenylimidazol-1-yl)-1-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one (CID 118773858) is 3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one is O=C(CCn1cc(Cl)cn1)N1CCCCC1CCc1ccccn1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one?
The InChIKey is DFSSKPMLYNPHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c19-15-13-21-22(14-15)12-9-18(24)23-11-4-2-6-17(23)8-7-16-5-1-3-10-20-16/h1,3,5,10,13-14,17H,2,4,6-9,11-12H2.
What are the key properties of 3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one?
3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one has a molecular weight of 346.86 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 118773858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).