3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one

C16H23ClN2O3 — CID 56866305

IUPAC3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESCC(C)CCCC1CN(C(=O)c2c[nH]c(=O)c(Cl)c2)CCO1
InChIInChI=1S/C16H23ClN2O3/c1-11(2)4-3-5-13-10-19(6-7-22-13)16(21)12-8-14(17)15(20)18-9-12/h8-9,11,13H,3-7,10H2,1-2H3,(H,18,20)
InChIKeyDXYFIXVCILSGQP-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.70
Rot. Bonds5

About 3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one

3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one (PubChem CID 56866305) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one
PubChem CID56866305
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESCC(C)CCCC1CN(C(=O)c2c[nH]c(=O)c(Cl)c2)CCO1
InChIInChI=1S/C16H23ClN2O3/c1-11(2)4-3-5-13-10-19(6-7-22-13)16(21)12-8-14(17)15(20)18-9-12/h8-9,11,13H,3-7,10H2,1-2H3,(H,18,20)
InChIKeyDXYFIXVCILSGQP-UHFFFAOYSA-N
XLogP2.70
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 42519260
3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95554145
3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one
CID 95554707
(2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 95556503
3-chloro-5-[(2S)-2-pyridin-4-ylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 124953854
2-methyl-1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]propan-1-one
CID 95225161
3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 124992992
(5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
CID 45182494
[2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 56878736
[(2R)-2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 95558114
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2S)-2-ethylmorpholin-4-yl]methanone
CID 38001053
(2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
CID 56875364

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one (CID 56866305) is 3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one is CC(C)CCCC1CN(C(=O)c2c[nH]c(=O)c(Cl)c2)CCO1.
What is the InChIKey of 3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The InChIKey is DXYFIXVCILSGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-11(2)4-3-5-13-10-19(6-7-22-13)16(21)12-8-14(17)15(20)18-9-12/h8-9,11,13H,3-7,10H2,1-2H3,(H,18,20).
What are the key properties of 3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one has a molecular weight of 326.82 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56866305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).