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

C14H16Cl2N2O3 — CID 38895516

IUPAC(3S)-1-[2-(3,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)COc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C14H16Cl2N2O3/c15-10-4-11(16)6-12(5-10)21-8-13(19)18-3-1-2-9(7-18)14(17)20/h4-6,9H,1-3,7-8H2,(H2,17,20)/t9-/m0/s1
InChIKeyZADAVFAKEVNEQZ-VIFPVBQESA-N
MW331.20 g/mol
LogP2.10
Rot. Bonds4

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

(3S)-1-[2-(3,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide (PubChem CID 38895516) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is (3S)-1-[2-(3,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(3,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
PubChem CID38895516
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name(3S)-1-[2-(3,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)COc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C14H16Cl2N2O3/c15-10-4-11(16)6-12(5-10)21-8-13(19)18-3-1-2-9(7-18)14(17)20/h4-6,9H,1-3,7-8H2,(H2,17,20)/t9-/m0/s1
InChIKeyZADAVFAKEVNEQZ-VIFPVBQESA-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

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Related Compounds

(3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 8578422
(3R)-1-[(2R)-2-(3,5-dichlorophenoxy)propanoyl]piperidine-3-carboxamide
CID 95167870
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 9200082
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 9492472
(3S)-1-[2-(3-methyl-4-nitrophenoxy)acetyl]piperidine-3-carboxamide
CID 8647924
(3R)-1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 51518691
(3R)-1-[2-(3,4-dichlorophenoxy)acetyl]piperidine-3-carboxylic acid
CID 81126899
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 9018611
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 9018061
(3S)-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-3-carboxamide
CID 9406362
(3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide
CID 99828110
(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide
CID 9115268

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(3,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(3,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide (CID 38895516) is (3S)-1-[2-(3,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(3,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(3,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)COc2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of (3S)-1-[2-(3,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide?
The InChIKey is ZADAVFAKEVNEQZ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-10-4-11(16)6-12(5-10)21-8-13(19)18-3-1-2-9(7-18)14(17)20/h4-6,9H,1-3,7-8H2,(H2,17,20)/t9-/m0/s1.
What are the key properties of (3S)-1-[2-(3,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide?
(3S)-1-[2-(3,5-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 (3S)-1-[2-(3,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 38895516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).