1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide

C15H19ClN2O4 — CID 128988899

IUPAC1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide
SMILESCCOc1cc(Cl)ccc1C(=O)N1CCCC(O)(C(N)=O)C1
InChIInChI=1S/C15H19ClN2O4/c1-2-22-12-8-10(16)4-5-11(12)13(19)18-7-3-6-15(21,9-18)14(17)20/h4-5,8,21H,2-3,6-7,9H2,1H3,(H2,17,20)
InChIKeyAQMWALUUYYDHQB-UHFFFAOYSA-N
MW326.78 g/mol
LogP1.19
Rot. Bonds4

About 1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide

1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide (PubChem CID 128988899) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is 1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide
PubChem CID128988899
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Name1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide
SMILESCCOc1cc(Cl)ccc1C(=O)N1CCCC(O)(C(N)=O)C1
InChIInChI=1S/C15H19ClN2O4/c1-2-22-12-8-10(16)4-5-11(12)13(19)18-7-3-6-15(21,9-18)14(17)20/h4-5,8,21H,2-3,6-7,9H2,1H3,(H2,17,20)
InChIKeyAQMWALUUYYDHQB-UHFFFAOYSA-N
XLogP1.19
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129485552
1-(4-chloro-2-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964687
(3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129491751
1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 128964748
(3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129353762
4-chloro-2-ethoxybenzamide
CID 126998915
1-(2-ethylfuran-3-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 128964618
(3R)-3-hydroxy-1-(2-phenoxybenzoyl)piperidine-3-carboxamide
CID 129485563
1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 128988885
2-[1-(4-chloro-2-ethoxybenzoyl)piperidin-4-yl]acetic acid
CID 120515342
acetic acid;[2-(3-aminopropoxy)-4-chlorophenyl]-pyrrolidin-1-ylmethanone
CID 154906698
1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964411

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of 1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide (CID 128988899) is 1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide is CCOc1cc(Cl)ccc1C(=O)N1CCCC(O)(C(N)=O)C1.
What is the InChIKey of 1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide?
The InChIKey is AQMWALUUYYDHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-2-22-12-8-10(16)4-5-11(12)13(19)18-7-3-6-15(21,9-18)14(17)20/h4-5,8,21H,2-3,6-7,9H2,1H3,(H2,17,20).
What are the key properties of 1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide?
1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 128988899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).