(3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide

C14H16Cl2N2O3 — CID 8578422

IUPAC(3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C(=O)COc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C14H16Cl2N2O3/c15-10-3-4-11(16)12(6-10)21-8-13(19)18-5-1-2-9(7-18)14(17)20/h3-4,6,9H,1-2,5,7-8H2,(H2,17,20)/t9-/m1/s1
InChIKeyUOTBPWZTXXDJFE-SECBINFHSA-N
MW331.20 g/mol
LogP2.10
Rot. Bonds4

About (3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide

(3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide (PubChem CID 8578422) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is (3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
PubChem CID8578422
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name(3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C(=O)COc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C14H16Cl2N2O3/c15-10-3-4-11(16)12(6-10)21-8-13(19)18-5-1-2-9(7-18)14(17)20/h3-4,6,9H,1-2,5,7-8H2,(H2,17,20)/t9-/m1/s1
InChIKeyUOTBPWZTXXDJFE-SECBINFHSA-N
XLogP2.10
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,5-dichlorophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63033015
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone
CID 55466170
(3S)-1-[2-(3,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 38895516
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 9200082
2-(2,5-dichlorophenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 119394834
(3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide
CID 94472229
(3S)-1-[2-(2-chloro-5-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 78923375
1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 78784829
(3S)-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-3-carboxamide
CID 9406362
1-[2-(2-bromo-4-chlorophenoxy)acetyl]piperidine-3-carbohydrazide
CID 54793924
(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
CID 172675142
(3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide
CID 99828110

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide (CID 8578422) is (3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(C(=O)COc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of (3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide?
The InChIKey is UOTBPWZTXXDJFE-SECBINFHSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-10-3-4-11(16)12(6-10)21-8-13(19)18-5-1-2-9(7-18)14(17)20/h3-4,6,9H,1-2,5,7-8H2,(H2,17,20)/t9-/m1/s1.
What are the key properties of (3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide?
(3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide has a molecular weight of 331.20 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 8578422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).