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

C15H18Cl2N2O3 — CID 95293794

IUPAC(3R)-1-[3-(2,3-dichlorophenoxy)propanoyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C(=O)CCOc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C15H18Cl2N2O3/c16-11-4-1-5-12(14(11)17)22-8-6-13(20)19-7-2-3-10(9-19)15(18)21/h1,4-5,10H,2-3,6-9H2,(H2,18,21)/t10-/m1/s1
InChIKeyGVWKOGYJDOQNAT-SNVBAGLBSA-N
MW345.23 g/mol
LogP2.49
Rot. Bonds5

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

(3R)-1-[3-(2,3-dichlorophenoxy)propanoyl]piperidine-3-carboxamide (PubChem CID 95293794) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is (3R)-1-[3-(2,3-dichlorophenoxy)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[3-(2,3-dichlorophenoxy)propanoyl]piperidine-3-carboxamide
PubChem CID95293794
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Name(3R)-1-[3-(2,3-dichlorophenoxy)propanoyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C(=O)CCOc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C15H18Cl2N2O3/c16-11-4-1-5-12(14(11)17)22-8-6-13(20)19-7-2-3-10(9-19)15(18)21/h1,4-5,10H,2-3,6-9H2,(H2,18,21)/t10-/m1/s1
InChIKeyGVWKOGYJDOQNAT-SNVBAGLBSA-N
XLogP2.49
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2,3-dichlorophenoxy)propan-1-one
CID 125146243
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,3-dichlorobenzoate
CID 9202965
4-(2,3-dichlorophenoxy)-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 124594630
1-[3-(aminomethyl)pyrrolidin-1-yl]-4-(2,3-dichlorophenoxy)butan-1-one
CID 119486137
1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid
CID 45429307
1-(3-chloropropanoyl)piperidine-3-carboxamide
CID 16785427
4-[4-[3-(2,3-dichlorophenoxy)propanoyl]piperazin-1-yl]benzamide
CID 86969202
(3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 8578422
1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 124593466
(3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide
CID 95154870
1-(4-amino-2-methylpiperidin-1-yl)-3-(2,3-dichlorophenoxy)propan-1-one
CID 122149230
3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107211694

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(2,3-dichlorophenoxy)propanoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[3-(2,3-dichlorophenoxy)propanoyl]piperidine-3-carboxamide (CID 95293794) is (3R)-1-[3-(2,3-dichlorophenoxy)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[3-(2,3-dichlorophenoxy)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[3-(2,3-dichlorophenoxy)propanoyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(C(=O)CCOc2cccc(Cl)c2Cl)C1.
What is the InChIKey of (3R)-1-[3-(2,3-dichlorophenoxy)propanoyl]piperidine-3-carboxamide?
The InChIKey is GVWKOGYJDOQNAT-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c16-11-4-1-5-12(14(11)17)22-8-6-13(20)19-7-2-3-10(9-19)15(18)21/h1,4-5,10H,2-3,6-9H2,(H2,18,21)/t10-/m1/s1.
What are the key properties of (3R)-1-[3-(2,3-dichlorophenoxy)propanoyl]piperidine-3-carboxamide?
(3R)-1-[3-(2,3-dichlorophenoxy)propanoyl]piperidine-3-carboxamide has a molecular weight of 345.23 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(2,3-dichlorophenoxy)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 95293794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).