3-[2-[3-(3-chlorobenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione

C18H20ClN3O4 — CID 72842853

IUPAC3-[2-[3-(3-chlorobenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
SMILESO=C(c1cccc(Cl)c1)C1CCCN(C(=O)CN2C(=O)CCNC2=O)C1
InChIInChI=1S/C18H20ClN3O4/c19-14-5-1-3-12(9-14)17(25)13-4-2-8-21(10-13)16(24)11-22-15(23)6-7-20-18(22)26/h1,3,5,9,13H,2,4,6-8,10-11H2,(H,20,26)
InChIKeySACOELDNORMDQB-UHFFFAOYSA-N
MW377.83 g/mol
LogP1.70
Rot. Bonds4

About 3-[2-[3-(3-chlorobenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione

3-[2-[3-(3-chlorobenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione (PubChem CID 72842853) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is 3-[2-[3-(3-chlorobenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-[2-[3-(3-chlorobenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
PubChem CID72842853
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC Name3-[2-[3-(3-chlorobenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
SMILESO=C(c1cccc(Cl)c1)C1CCCN(C(=O)CN2C(=O)CCNC2=O)C1
InChIInChI=1S/C18H20ClN3O4/c19-14-5-1-3-12(9-14)17(25)13-4-2-8-21(10-13)16(24)11-22-15(23)6-7-20-18(22)26/h1,3,5,9,13H,2,4,6-8,10-11H2,(H,20,26)
InChIKeySACOELDNORMDQB-UHFFFAOYSA-N
XLogP1.70
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-chlorobenzoyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 118762209
(3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide
CID 42462168
1-[2-[3-(3-chlorobenzoyl)piperidine-1-carbonyl]phenyl]ethanone
CID 45202769
3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 77088791
(3-chlorophenyl)-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone
CID 42288727
(3-chlorophenyl)-[1-(2-hydroxyethyl)piperidin-3-yl]methanone
CID 126462062
1-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 120770801
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429
3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110394499
(3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 25385725
CID 70315573
CID 70315573
1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone
CID 110289396

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(3-chlorobenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 3-[2-[3-(3-chlorobenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione (CID 72842853) is 3-[2-[3-(3-chlorobenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-[2-[3-(3-chlorobenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-[2-[3-(3-chlorobenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione is O=C(c1cccc(Cl)c1)C1CCCN(C(=O)CN2C(=O)CCNC2=O)C1.
What is the InChIKey of 3-[2-[3-(3-chlorobenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione?
The InChIKey is SACOELDNORMDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c19-14-5-1-3-12(9-14)17(25)13-4-2-8-21(10-13)16(24)11-22-15(23)6-7-20-18(22)26/h1,3,5,9,13H,2,4,6-8,10-11H2,(H,20,26).
What are the key properties of 3-[2-[3-(3-chlorobenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione?
3-[2-[3-(3-chlorobenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione has a molecular weight of 377.83 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(3-chlorobenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 72842853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).