[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone

C20H24N4O — CID 124996356

IUPAC[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
SMILESO=C(c1ccc(N2CCCC2)cc1)N1CCC[C@@H](c2ccncn2)C1
InChIInChI=1S/C20H24N4O/c25-20(16-5-7-18(8-6-16)23-11-1-2-12-23)24-13-3-4-17(14-24)19-9-10-21-15-22-19/h5-10,15,17H,1-4,11-14H2/t17-/m1/s1
InChIKeyQSHHPUXABNWOCN-QGZVFWFLSA-N
MW336.44 g/mol
LogP3.10
Rot. Bonds3

About [(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone

[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone (PubChem CID 124996356) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is [(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
PubChem CID124996356
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
SMILESO=C(c1ccc(N2CCCC2)cc1)N1CCC[C@@H](c2ccncn2)C1
InChIInChI=1S/C20H24N4O/c25-20(16-5-7-18(8-6-16)23-11-1-2-12-23)24-13-3-4-17(14-24)19-9-10-21-15-22-19/h5-10,15,17H,1-4,11-14H2/t17-/m1/s1
InChIKeyQSHHPUXABNWOCN-QGZVFWFLSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95845824
[4-(3-methoxy-2-pyridinyl)phenyl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 126448387
(1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124980175
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969
[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 124964339
(4-piperidin-1-ylphenyl)-[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 16669713
[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 97278548
(2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124942438
(3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126445256
(2-methoxy-3-pyridinyl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 110114882
6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 77083127
2H-chromen-3-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124969421

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The IUPAC name of [(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone (CID 124996356) is [(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone.
What is the SMILES notation for [(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The canonical SMILES for [(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone is O=C(c1ccc(N2CCCC2)cc1)N1CCC[C@@H](c2ccncn2)C1.
What is the InChIKey of [(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The InChIKey is QSHHPUXABNWOCN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20(16-5-7-18(8-6-16)23-11-1-2-12-23)24-13-3-4-17(14-24)19-9-10-21-15-22-19/h5-10,15,17H,1-4,11-14H2/t17-/m1/s1.
What are the key properties of [(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone has a molecular weight of 336.44 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone is sourced from PubChem (CID 124996356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).