(4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one

C16H21N3O3 — CID 97104979

IUPAC(4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCN1C[C@@H](C(=O)N2CCC(Oc3ccccn3)CC2)CC1=O
InChIInChI=1S/C16H21N3O3/c1-18-11-12(10-15(18)20)16(21)19-8-5-13(6-9-19)22-14-4-2-3-7-17-14/h2-4,7,12-13H,5-6,8-11H2,1H3/t12-/m0/s1
InChIKeyYGBSAZLHRRFPRD-LBPRGKRZSA-N
MW303.36 g/mol
LogP0.93
Rot. Bonds3

About (4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one

(4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 97104979) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID97104979
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCN1C[C@@H](C(=O)N2CCC(Oc3ccccn3)CC2)CC1=O
InChIInChI=1S/C16H21N3O3/c1-18-11-12(10-15(18)20)16(21)19-8-5-13(6-9-19)22-14-4-2-3-7-17-14/h2-4,7,12-13H,5-6,8-11H2,1H3/t12-/m0/s1
InChIKeyYGBSAZLHRRFPRD-LBPRGKRZSA-N
XLogP0.93
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(3-pyridin-2-yloxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 122247283
1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 90560043
1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 71798630
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
1-methyl-4-[4-(2-phenylethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 75462351
(4S)-1-methyl-4-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 92566407
1-(4-methoxyphenyl)-4-(3-pyridin-2-yloxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 122247205
(4R)-4-[4-[(6-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 97427086
1-methyl-4-[4-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110214414
1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 90558754
4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 122261546
2-ethoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798598

Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one (CID 97104979) is (4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one is CN1C[C@@H](C(=O)N2CCC(Oc3ccccn3)CC2)CC1=O.
What is the InChIKey of (4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is YGBSAZLHRRFPRD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-18-11-12(10-15(18)20)16(21)19-8-5-13(6-9-19)22-14-4-2-3-7-17-14/h2-4,7,12-13H,5-6,8-11H2,1H3/t12-/m0/s1.
What are the key properties of (4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
(4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 303.36 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 97104979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).