1-[(3S)-1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]imidazolidin-2-one

C15H20N4O3 — CID 95591065

IUPAC1-[(3S)-1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]imidazolidin-2-one
SMILESCOc1ncccc1C(=O)N1CCC[C@H](N2CCNC2=O)C1
InChIInChI=1S/C15H20N4O3/c1-22-13-12(5-2-6-16-13)14(20)18-8-3-4-11(10-18)19-9-7-17-15(19)21/h2,5-6,11H,3-4,7-10H2,1H3,(H,17,21)/t11-/m0/s1
InChIKeyIVPMZNQASNHYOJ-NSHDSACASA-N
MW304.35 g/mol
LogP0.72
Rot. Bonds3

About 1-[(3S)-1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]imidazolidin-2-one

1-[(3S)-1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]imidazolidin-2-one (PubChem CID 95591065) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[(3S)-1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]imidazolidin-2-one
PubChem CID95591065
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1-[(3S)-1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]imidazolidin-2-one
SMILESCOc1ncccc1C(=O)N1CCC[C@H](N2CCNC2=O)C1
InChIInChI=1S/C15H20N4O3/c1-22-13-12(5-2-6-16-13)14(20)18-8-3-4-11(10-18)19-9-7-17-15(19)21/h2,5-6,11H,3-4,7-10H2,1H3,(H,17,21)/t11-/m0/s1
InChIKeyIVPMZNQASNHYOJ-NSHDSACASA-N
XLogP0.72
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(bromomethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 80660116
(2-methoxy-3-pyridinyl)-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514391
1-[1-[2-(butylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one
CID 84594683
(2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124942438
(2-methoxy-3-pyridinyl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 110114882
(2-methoxy-3-pyridinyl)-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 124967355
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-methoxy-3-pyridinyl)methanone
CID 66211207
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
1-[1-(4-methoxy-3-phenylbenzoyl)piperidin-3-yl]imidazolidin-2-one
CID 138998320
[4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 66201560
[(3aR,4R,7S,7aS)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl]-(2-methoxy-3-pyridinyl)methanone
CID 56864464
(2-methoxy-3-pyridinyl)-[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124982563

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[(3S)-1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]imidazolidin-2-one (CID 95591065) is 1-[(3S)-1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3S)-1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(3S)-1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]imidazolidin-2-one is COc1ncccc1C(=O)N1CCC[C@H](N2CCNC2=O)C1.
What is the InChIKey of 1-[(3S)-1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]imidazolidin-2-one?
The InChIKey is IVPMZNQASNHYOJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N4O3/c1-22-13-12(5-2-6-16-13)14(20)18-8-3-4-11(10-18)19-9-7-17-15(19)21/h2,5-6,11H,3-4,7-10H2,1H3,(H,17,21)/t11-/m0/s1.
What are the key properties of 1-[(3S)-1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]imidazolidin-2-one?
1-[(3S)-1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]imidazolidin-2-one has a molecular weight of 304.35 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 95591065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).