[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone

C15H18N4O — CID 124987721

IUPAC[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESC[C@@]1(c2ccn[nH]2)CCCN(C(=O)c2cccnc2)C1
InChIInChI=1S/C15H18N4O/c1-15(13-5-8-17-18-13)6-3-9-19(11-15)14(20)12-4-2-7-16-10-12/h2,4-5,7-8,10H,3,6,9,11H2,1H3,(H,17,18)/t15-/m1/s1
InChIKeyOIBJYXITMIHKEW-OAHLLOKOSA-N
MW270.34 g/mol
LogP2.00
Rot. Bonds2

About [(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone

[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 124987721) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID124987721
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESC[C@@]1(c2ccn[nH]2)CCCN(C(=O)c2cccnc2)C1
InChIInChI=1S/C15H18N4O/c1-15(13-5-8-17-18-13)6-3-9-19(11-15)14(20)12-4-2-7-16-10-12/h2,4-5,7-8,10H,3,6,9,11H2,1H3,(H,17,18)/t15-/m1/s1
InChIKeyOIBJYXITMIHKEW-OAHLLOKOSA-N
XLogP2.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115875110
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941
3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142817
(2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone
CID 131638627
[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone
CID 110272344
6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
CID 97232335
2-[3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 73440380
1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618442
pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450112
ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxylate
CID 26331861
(4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798519
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115269846

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone (CID 124987721) is [(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone is C[C@@]1(c2ccn[nH]2)CCCN(C(=O)c2cccnc2)C1.
What is the InChIKey of [(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is OIBJYXITMIHKEW-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18N4O/c1-15(13-5-8-17-18-13)6-3-9-19(11-15)14(20)12-4-2-7-16-10-12/h2,4-5,7-8,10H,3,6,9,11H2,1H3,(H,17,18)/t15-/m1/s1.
What are the key properties of [(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 270.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 124987721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).