N-[(3R)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide

C14H16Cl2N2O3 — CID 96570730

IUPACN-[(3R)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)c2c(O)cc(Cl)cc2Cl)C1
InChIInChI=1S/C14H16Cl2N2O3/c1-8(19)17-10-3-2-4-18(7-10)14(21)13-11(16)5-9(15)6-12(13)20/h5-6,10,20H,2-4,7H2,1H3,(H,17,19)/t10-/m1/s1
InChIKeyOTEZOEYJQOOHQZ-SNVBAGLBSA-N
MW331.20 g/mol
LogP2.44
Rot. Bonds2

About N-[(3R)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide

N-[(3R)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide (PubChem CID 96570730) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is N-[(3R)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide
PubChem CID96570730
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC NameN-[(3R)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)c2c(O)cc(Cl)cc2Cl)C1
InChIInChI=1S/C14H16Cl2N2O3/c1-8(19)17-10-3-2-4-18(7-10)14(21)13-11(16)5-9(15)6-12(13)20/h5-6,10,20H,2-4,7H2,1H3,(H,17,19)/t10-/m1/s1
InChIKeyOTEZOEYJQOOHQZ-SNVBAGLBSA-N
XLogP2.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide
CID 96570731
[1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-4-yl]urea
CID 154739739
(2,4-dichloro-6-hydroxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023032
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997
N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide
CID 78948823
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide
CID 61051093
N-[1-(5-bromo-4-methylthiophene-2-carbonyl)piperidin-3-yl]acetamide
CID 79926806
N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide
CID 62234754
N-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
CID 61110247
N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide
CID 60948683
N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide
CID 99933106

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide (CID 96570730) is N-[(3R)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CCCN(C(=O)c2c(O)cc(Cl)cc2Cl)C1.
What is the InChIKey of N-[(3R)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide?
The InChIKey is OTEZOEYJQOOHQZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-8(19)17-10-3-2-4-18(7-10)14(21)13-11(16)5-9(15)6-12(13)20/h5-6,10,20H,2-4,7H2,1H3,(H,17,19)/t10-/m1/s1.
What are the key properties of N-[(3R)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide?
N-[(3R)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide has a molecular weight of 331.20 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 96570730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).