1-methyl-5-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidine-1-carbonyl]pyridin-2-one

C18H27N3O2 — CID 95873949

IUPAC1-methyl-5-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidine-1-carbonyl]pyridin-2-one
SMILESC[C@H](C1CCN(C(=O)c2ccc(=O)n(C)c2)CC1)N1CCCC1
InChIInChI=1S/C18H27N3O2/c1-14(20-9-3-4-10-20)15-7-11-21(12-8-15)18(23)16-5-6-17(22)19(2)13-16/h5-6,13-15H,3-4,7-12H2,1-2H3/t14-/m1/s1
InChIKeyUYKWXSGJGYUACI-CQSZACIVSA-N
MW317.43 g/mol
LogP1.72
Rot. Bonds3

About 1-methyl-5-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidine-1-carbonyl]pyridin-2-one

1-methyl-5-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidine-1-carbonyl]pyridin-2-one (PubChem CID 95873949) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-methyl-5-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidine-1-carbonyl]pyridin-2-one
PubChem CID95873949
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-methyl-5-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidine-1-carbonyl]pyridin-2-one
SMILESC[C@H](C1CCN(C(=O)c2ccc(=O)n(C)c2)CC1)N1CCCC1
InChIInChI=1S/C18H27N3O2/c1-14(20-9-3-4-10-20)15-7-11-21(12-8-15)18(23)16-5-6-17(22)19(2)13-16/h5-6,13-15H,3-4,7-12H2,1-2H3/t14-/m1/s1
InChIKeyUYKWXSGJGYUACI-CQSZACIVSA-N
XLogP1.72
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-5-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidine-1-carbonyl]pyridin-2-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidine-1-carbonyl]pyridin-2-one (CID 95873949) is 1-methyl-5-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidine-1-carbonyl]pyridin-2-one is C[C@H](C1CCN(C(=O)c2ccc(=O)n(C)c2)CC1)N1CCCC1.
What is the InChIKey of 1-methyl-5-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidine-1-carbonyl]pyridin-2-one?
The InChIKey is UYKWXSGJGYUACI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(20-9-3-4-10-20)15-7-11-21(12-8-15)18(23)16-5-6-17(22)19(2)13-16/h5-6,13-15H,3-4,7-12H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-methyl-5-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidine-1-carbonyl]pyridin-2-one?
1-methyl-5-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 317.43 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 95873949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).