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

C15H18Cl2N2O3 — CID 95167870

IUPAC(3R)-1-[(2R)-2-(3,5-dichlorophenoxy)propanoyl]piperidine-3-carboxamide
SMILESC[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C15H18Cl2N2O3/c1-9(22-13-6-11(16)5-12(17)7-13)15(21)19-4-2-3-10(8-19)14(18)20/h5-7,9-10H,2-4,8H2,1H3,(H2,18,20)/t9-,10-/m1/s1
InChIKeyKFGUOMGKMCOPEK-NXEZZACHSA-N
MW345.23 g/mol
LogP2.48
Rot. Bonds4

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

(3R)-1-[(2R)-2-(3,5-dichlorophenoxy)propanoyl]piperidine-3-carboxamide (PubChem CID 95167870) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is (3R)-1-[(2R)-2-(3,5-dichlorophenoxy)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2R)-2-(3,5-dichlorophenoxy)propanoyl]piperidine-3-carboxamide
PubChem CID95167870
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Name(3R)-1-[(2R)-2-(3,5-dichlorophenoxy)propanoyl]piperidine-3-carboxamide
SMILESC[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C15H18Cl2N2O3/c1-9(22-13-6-11(16)5-12(17)7-13)15(21)19-4-2-3-10(8-19)14(18)20/h5-7,9-10H,2-4,8H2,1H3,(H2,18,20)/t9-,10-/m1/s1
InChIKeyKFGUOMGKMCOPEK-NXEZZACHSA-N
XLogP2.48
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide
CID 94164900
(3S)-1-[2-(3,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 38895516
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-chlorophenoxy)propan-1-one;hydrochloride
CID 119464933
(2S)-1-(4-acetylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)propan-1-one
CID 95286382
1-(2-chloropropanoyl)piperidine-3-carboxamide
CID 24691104
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
1-[2-(3,4-dichlorophenoxy)propanoyl]-N-ethylpiperidine-3-carboxamide
CID 49050190
(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid
CID 81119430
1-[3-(2-chloroethyl)piperidin-1-yl]-2-(3-chlorophenoxy)propan-1-one
CID 63395750
1-(2-sulfanylpropanoyl)piperidine-3-carboxamide
CID 107019311
(2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 95165980
2-(4-chloro-3,5-dimethylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 2969657

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-2-(3,5-dichlorophenoxy)propanoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2R)-2-(3,5-dichlorophenoxy)propanoyl]piperidine-3-carboxamide (CID 95167870) is (3R)-1-[(2R)-2-(3,5-dichlorophenoxy)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2R)-2-(3,5-dichlorophenoxy)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2R)-2-(3,5-dichlorophenoxy)propanoyl]piperidine-3-carboxamide is C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@@H](C(N)=O)C1.
What is the InChIKey of (3R)-1-[(2R)-2-(3,5-dichlorophenoxy)propanoyl]piperidine-3-carboxamide?
The InChIKey is KFGUOMGKMCOPEK-NXEZZACHSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c1-9(22-13-6-11(16)5-12(17)7-13)15(21)19-4-2-3-10(8-19)14(18)20/h5-7,9-10H,2-4,8H2,1H3,(H2,18,20)/t9-,10-/m1/s1.
What are the key properties of (3R)-1-[(2R)-2-(3,5-dichlorophenoxy)propanoyl]piperidine-3-carboxamide?
(3R)-1-[(2R)-2-(3,5-dichlorophenoxy)propanoyl]piperidine-3-carboxamide has a molecular weight of 345.23 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-2-(3,5-dichlorophenoxy)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 95167870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).