1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone

C15H18N4O — CID 110468074

IUPAC1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCC(n2cccn2)CC1
InChIInChI=1S/C15H18N4O/c20-15(11-13-3-1-6-16-12-13)18-9-4-14(5-10-18)19-8-2-7-17-19/h1-3,6-8,12,14H,4-5,9-11H2
InChIKeyGIJNKTWZSIPVET-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.68
Rot. Bonds3

About 1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone

1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone (PubChem CID 110468074) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
PubChem CID110468074
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCC(n2cccn2)CC1
InChIInChI=1S/C15H18N4O/c20-15(11-13-3-1-6-16-12-13)18-9-4-14(5-10-18)19-8-2-7-17-19/h1-3,6-8,12,14H,4-5,9-11H2
InChIKeyGIJNKTWZSIPVET-UHFFFAOYSA-N
XLogP1.68
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 110871172
1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 79879332
2-(6-methyl-3-pyridinyl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone
CID 95283301
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 112630744
N-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 45198635
1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192620
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 79030214
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 115276739
1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
CID 96582023
4-benzyl-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 56877479

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone (CID 110468074) is 1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCC(n2cccn2)CC1.
What is the InChIKey of 1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone?
The InChIKey is GIJNKTWZSIPVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(11-13-3-1-6-16-12-13)18-9-4-14(5-10-18)19-8-2-7-17-19/h1-3,6-8,12,14H,4-5,9-11H2.
What are the key properties of 1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone?
1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone has a molecular weight of 270.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 110468074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).