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

C16H20ClN3O4 — CID 77090270

IUPAC5-chloro-3-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc(Cl)c[nH]c1=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H20ClN3O4/c17-12-8-13(14(21)18-9-12)16(23)20-3-1-2-11(10-20)15(22)19-4-6-24-7-5-19/h8-9,11H,1-7,10H2,(H,18,21)
InChIKeyNZIJAZKUEUVICP-UHFFFAOYSA-N
MW353.81 g/mol
LogP0.74
Rot. Bonds2

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

5-chloro-3-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 77090270) has the molecular formula C16H20ClN3O4 and a molecular weight of 353.81 g/mol. Its IUPAC name is 5-chloro-3-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID77090270
Molecular FormulaC16H20ClN3O4
Molecular Weight353.81 g/mol
Exact Mass353.11
IUPAC Name5-chloro-3-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc(Cl)c[nH]c1=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H20ClN3O4/c17-12-8-13(14(21)18-9-12)16(23)20-3-1-2-11(10-20)15(22)19-4-6-24-7-5-19/h8-9,11H,1-7,10H2,(H,18,21)
InChIKeyNZIJAZKUEUVICP-UHFFFAOYSA-N
XLogP0.74
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,4-dichlorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51326639
[1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51329356
morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 42783455
morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
CID 55517643
8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 99787084
[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 119700503
[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 51275657
4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one
CID 86285127
[1-(2,4-difluoro-6-hydroxybenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 86861625
5-chloro-3-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 95548977
5-chloro-3-[(3S)-3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95191677

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 77090270) is 5-chloro-3-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1cc(Cl)c[nH]c1=O)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of 5-chloro-3-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is NZIJAZKUEUVICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4/c17-12-8-13(14(21)18-9-12)16(23)20-3-1-2-11(10-20)15(22)19-4-6-24-7-5-19/h8-9,11H,1-7,10H2,(H,18,21).
What are the key properties of 5-chloro-3-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
5-chloro-3-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 353.81 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 77090270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).