(3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone

C16H19N3O — CID 110486725

IUPAC(3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
SMILESCC1CCCN(C(=O)c2cccc(-c3cn[nH]c3)c2)C1
InChIInChI=1S/C16H19N3O/c1-12-4-3-7-19(11-12)16(20)14-6-2-5-13(8-14)15-9-17-18-10-15/h2,5-6,8-10,12H,3-4,7,11H2,1H3,(H,17,18)
InChIKeyZYLWRCGFYJHBMB-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.95
Rot. Bonds2

About (3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone

(3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone (PubChem CID 110486725) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
PubChem CID110486725
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
SMILESCC1CCCN(C(=O)c2cccc(-c3cn[nH]c3)c2)C1
InChIInChI=1S/C16H19N3O/c1-12-4-3-7-19(11-12)16(20)14-6-2-5-13(8-14)15-9-17-18-10-15/h2,5-6,8-10,12H,3-4,7,11H2,1H3,(H,17,18)
InChIKeyZYLWRCGFYJHBMB-UHFFFAOYSA-N
XLogP2.95
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-[1-[3-(1H-pyrazol-4-yl)benzoyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119066861
[3-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95549395
(4-methylsulfonyl-1,4-diazepan-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 74238732
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 39826456
2-[(2S)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidin-2-yl]acetic acid
CID 126437661
1-[(3R,4R)-4-hydroxy-1-[3-(1H-pyrazol-4-yl)benzoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134698775
(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1-[3-(1H-pyrazol-4-yl)benzoyl]-1,4-diazepan-5-one
CID 95553751
(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 74244805
[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 175646218
1-[3-(1H-pyrazol-4-yl)phenyl]ethanone
CID 121358272

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone (CID 110486725) is (3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone is CC1CCCN(C(=O)c2cccc(-c3cn[nH]c3)c2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone?
The InChIKey is ZYLWRCGFYJHBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-4-3-7-19(11-12)16(20)14-6-2-5-13(8-14)15-9-17-18-10-15/h2,5-6,8-10,12H,3-4,7,11H2,1H3,(H,17,18).
What are the key properties of (3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone?
(3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone has a molecular weight of 269.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone is sourced from PubChem (CID 110486725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).