3-chloro-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one

C16H20ClN3O3 — CID 70750079

IUPAC3-chloro-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C1CCCN1CC1CCN(C(=O)c2c[nH]c(=O)c(Cl)c2)CC1
InChIInChI=1S/C16H20ClN3O3/c17-13-8-12(9-18-15(13)22)16(23)19-6-3-11(4-7-19)10-20-5-1-2-14(20)21/h8-9,11H,1-7,10H2,(H,18,22)
InChIKeySQBXWEAWWIKHMH-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.50
Rot. Bonds3

About 3-chloro-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one

3-chloro-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 70750079) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 3-chloro-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID70750079
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name3-chloro-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C1CCCN1CC1CCN(C(=O)c2c[nH]c(=O)c(Cl)c2)CC1
InChIInChI=1S/C16H20ClN3O3/c17-13-8-12(9-18-15(13)22)16(23)19-6-3-11(4-7-19)10-20-5-1-2-14(20)21/h8-9,11H,1-7,10H2,(H,18,22)
InChIKeySQBXWEAWWIKHMH-UHFFFAOYSA-N
XLogP1.50
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 70750079) is 3-chloro-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one is O=C1CCCN1CC1CCN(C(=O)c2c[nH]c(=O)c(Cl)c2)CC1.
What is the InChIKey of 3-chloro-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is SQBXWEAWWIKHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c17-13-8-12(9-18-15(13)22)16(23)19-6-3-11(4-7-19)10-20-5-1-2-14(20)21/h8-9,11H,1-7,10H2,(H,18,22).
What are the key properties of 3-chloro-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
3-chloro-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 337.81 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 70750079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).