[(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone

C14H20N4O2 — CID 111561597

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2ncccn2)CC1)N1CC[C@@H](O)C1
InChIInChI=1S/C14H20N4O2/c19-12-4-9-18(10-12)13(20)11-2-7-17(8-3-11)14-15-5-1-6-16-14/h1,5-6,11-12,19H,2-4,7-10H2/t12-/m1/s1
InChIKeyWKGLFHCHKXSRTQ-GFCCVEGCSA-N
MW276.34 g/mol
LogP0.29
Rot. Bonds2

About [(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone

[(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone (PubChem CID 111561597) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
PubChem CID111561597
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2ncccn2)CC1)N1CC[C@@H](O)C1
InChIInChI=1S/C14H20N4O2/c19-12-4-9-18(10-12)13(20)11-2-7-17(8-3-11)14-15-5-1-6-16-14/h1,5-6,11-12,19H,2-4,7-10H2/t12-/m1/s1
InChIKeyWKGLFHCHKXSRTQ-GFCCVEGCSA-N
XLogP0.29
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone 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

[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134035000
4-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperazin-2-one
CID 110090146
2-methyl-2-[1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 75517092
(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855027
cyclobutyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291381
[(3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-cyclobutylmethanone
CID 97402596
piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827947
cyclohexyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260468
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 56812849
2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid
CID 53415565
(4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone
CID 84578569
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 11799370

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone (CID 111561597) is [(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone is O=C(C1CCN(c2ncccn2)CC1)N1CC[C@@H](O)C1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone?
The InChIKey is WKGLFHCHKXSRTQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-12-4-9-18(10-12)13(20)11-2-7-17(8-3-11)14-15-5-1-6-16-14/h1,5-6,11-12,19H,2-4,7-10H2/t12-/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone has a molecular weight of 276.34 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 111561597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).