(3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide

C15H19Cl2N3O2 — CID 95160101

IUPAC(3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@H](C(=O)NCCc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C15H19Cl2N3O2/c16-12-6-10(7-13(17)8-12)3-4-19-14(21)11-2-1-5-20(9-11)15(18)22/h6-8,11H,1-5,9H2,(H2,18,22)(H,19,21)/t11-/m0/s1
InChIKeyAUPHUKQBWDZWFG-NSHDSACASA-N
MW344.24 g/mol
LogP2.44
Rot. Bonds4

About (3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide

(3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide (PubChem CID 95160101) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is (3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide
PubChem CID95160101
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name(3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@H](C(=O)NCCc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C15H19Cl2N3O2/c16-12-6-10(7-13(17)8-12)3-4-19-14(21)11-2-1-5-20(9-11)15(18)22/h6-8,11H,1-5,9H2,(H2,18,22)(H,19,21)/t11-/m0/s1
InChIKeyAUPHUKQBWDZWFG-NSHDSACASA-N
XLogP2.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081950
(3R)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081948
(3R)-3-N-[2-(2,3-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 95156511
3-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide
CID 70742198
3-amino-N-[2-(3,5-dichlorophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119752653
N-(2-aminoethyl)-1-[(3,5-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 63252374
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119548062
(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 94082169
N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 55631090
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
(3S)-3-N-[2-(3,4-difluorophenoxy)ethyl]piperidine-1,3-dicarboxamide
CID 95614768
9-amino-N-[2-(3,5-dichlorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987724

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide (CID 95160101) is (3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide is NC(=O)N1CCC[C@H](C(=O)NCCc2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of (3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide?
The InChIKey is AUPHUKQBWDZWFG-NSHDSACASA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c16-12-6-10(7-13(17)8-12)3-4-19-14(21)11-2-1-5-20(9-11)15(18)22/h6-8,11H,1-5,9H2,(H2,18,22)(H,19,21)/t11-/m0/s1.
What are the key properties of (3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide?
(3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide has a molecular weight of 344.24 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 95160101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).