(1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone

C17H22N4O — CID 125022661

IUPAC(1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
SMILESCc1cccc(C[C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1
InChIInChI=1S/C17H22N4O/c1-13-5-3-7-16(19-13)9-14-6-4-8-21(11-14)17(22)15-10-18-20(2)12-15/h3,5,7,10,12,14H,4,6,8-9,11H2,1-2H3/t14-/m0/s1
InChIKeyYSBCHQPDNPZPTJ-AWEZNQCLSA-N
MW298.39 g/mol
LogP2.22
Rot. Bonds3

About (1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone

(1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone (PubChem CID 125022661) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
PubChem CID125022661
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
SMILESCc1cccc(C[C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1
InChIInChI=1S/C17H22N4O/c1-13-5-3-7-16(19-13)9-14-6-4-8-21(11-14)17(22)15-10-18-20(2)12-15/h3,5,7,10,12,14H,4,6,8-9,11H2,1-2H3/t14-/m0/s1
InChIKeyYSBCHQPDNPZPTJ-AWEZNQCLSA-N
XLogP2.22
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[3-[(6-aminopyridazin-3-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110271658
[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125010829
(3-ethyl-1,2-oxazol-5-yl)-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 110103345
3-methoxy-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one
CID 124973172
2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 124980830
2-methyl-1-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 127246429
1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124947043
1-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 127246420
5,5-dimethyl-3-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 110103362
2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine
CID 175652389
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119
[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 141277119

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone (CID 125022661) is (1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone is Cc1cccc(C[C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone?
The InChIKey is YSBCHQPDNPZPTJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-5-3-7-16(19-13)9-14-6-4-8-21(11-14)17(22)15-10-18-20(2)12-15/h3,5,7,10,12,14H,4,6,8-9,11H2,1-2H3/t14-/m0/s1.
What are the key properties of (1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone has a molecular weight of 298.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 125022661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).