(3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]piperidine-3-carboxamide

C14H21N3O3 — CID 81124731

IUPAC(3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]piperidine-3-carboxamide
SMILESCOCCn1cc(NC(=O)[C@H]2CCCNC2)ccc1=O
InChIInChI=1S/C14H21N3O3/c1-20-8-7-17-10-12(4-5-13(17)18)16-14(19)11-3-2-6-15-9-11/h4-5,10-11,15H,2-3,6-9H2,1H3,(H,16,19)/t11-/m0/s1
InChIKeyVSRDEQJBFBUQQG-NSHDSACASA-N
MW279.34 g/mol
LogP0.43
Rot. Bonds5

About (3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]piperidine-3-carboxamide

(3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]piperidine-3-carboxamide (PubChem CID 81124731) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]piperidine-3-carboxamide
PubChem CID81124731
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]piperidine-3-carboxamide
SMILESCOCCn1cc(NC(=O)[C@H]2CCCNC2)ccc1=O
InChIInChI=1S/C14H21N3O3/c1-20-8-7-17-10-12(4-5-13(17)18)16-14(19)11-3-2-6-15-9-11/h4-5,10-11,15H,2-3,6-9H2,1H3,(H,16,19)/t11-/m0/s1
InChIKeyVSRDEQJBFBUQQG-NSHDSACASA-N
XLogP0.43
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]piperidine-3-carboxamide (CID 81124731) is (3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]piperidine-3-carboxamide is COCCn1cc(NC(=O)[C@H]2CCCNC2)ccc1=O.
What is the InChIKey of (3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]piperidine-3-carboxamide?
The InChIKey is VSRDEQJBFBUQQG-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O3/c1-20-8-7-17-10-12(4-5-13(17)18)16-14(19)11-3-2-6-15-9-11/h4-5,10-11,15H,2-3,6-9H2,1H3,(H,16,19)/t11-/m0/s1.
What are the key properties of (3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]piperidine-3-carboxamide?
(3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]piperidine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 81124731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).