2-(4-chloropyrazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone

C16H19ClN4O — CID 110270623

IUPAC2-(4-chloropyrazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cn1cc(Cl)cn1)N1CCCC(Cc2ccccn2)C1
InChIInChI=1S/C16H19ClN4O/c17-14-9-19-21(11-14)12-16(22)20-7-3-4-13(10-20)8-15-5-1-2-6-18-15/h1-2,5-6,9,11,13H,3-4,7-8,10,12H2
InChIKeyVGYYTAGVUKFPCM-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.41
Rot. Bonds4

About 2-(4-chloropyrazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone

2-(4-chloropyrazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 110270623) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
PubChem CID110270623
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name2-(4-chloropyrazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cn1cc(Cl)cn1)N1CCCC(Cc2ccccn2)C1
InChIInChI=1S/C16H19ClN4O/c17-14-9-19-21(11-14)12-16(22)20-7-3-4-13(10-20)8-15-5-1-2-6-18-15/h1-2,5-6,9,11,13H,3-4,7-8,10,12H2
InChIKeyVGYYTAGVUKFPCM-UHFFFAOYSA-N
XLogP2.41
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 95841867
2-(4-chloropyrazol-1-yl)-1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 110103446
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 127246352
3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 124971365
3-methoxy-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 110270825
3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 95845204
oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 95845794
N-[2-oxo-2-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110271111
2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 175652372
1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 124995445
2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 125014143

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone (CID 110270623) is 2-(4-chloropyrazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone is O=C(Cn1cc(Cl)cn1)N1CCCC(Cc2ccccn2)C1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is VGYYTAGVUKFPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c17-14-9-19-21(11-14)12-16(22)20-7-3-4-13(10-20)8-15-5-1-2-6-18-15/h1-2,5-6,9,11,13H,3-4,7-8,10,12H2.
What are the key properties of 2-(4-chloropyrazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
2-(4-chloropyrazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 318.81 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110270623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).