(3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide

C15H20ClN3O2 — CID 9081950

IUPAC(3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@H](C(=O)NCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClN3O2/c16-13-5-3-11(4-6-13)7-8-18-14(20)12-2-1-9-19(10-12)15(17)21/h3-6,12H,1-2,7-10H2,(H2,17,21)(H,18,20)/t12-/m0/s1
InChIKeyMSGUZNBDSFNPTI-LBPRGKRZSA-N
MW309.80 g/mol
LogP1.79
Rot. Bonds4

About (3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide

(3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide (PubChem CID 9081950) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is (3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
PubChem CID9081950
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name(3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@H](C(=O)NCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClN3O2/c16-13-5-3-11(4-6-13)7-8-18-14(20)12-2-1-9-19(10-12)15(17)21/h3-6,12H,1-2,7-10H2,(H2,17,21)(H,18,20)/t12-/m0/s1
InChIKeyMSGUZNBDSFNPTI-LBPRGKRZSA-N
XLogP1.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081948
(3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 95160101
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119548062
N-(2-aminoethyl)-1-[3-(4-chlorophenyl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479751
N-[2-(4-chlorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946563
(3R)-3-N-[2-(2,3-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 95156511
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71937760
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51393659
3-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide
CID 70742198
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide (CID 9081950) is (3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide is NC(=O)N1CCC[C@H](C(=O)NCCc2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide?
The InChIKey is MSGUZNBDSFNPTI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-13-5-3-11(4-6-13)7-8-18-14(20)12-2-1-9-19(10-12)15(17)21/h3-6,12H,1-2,7-10H2,(H2,17,21)(H,18,20)/t12-/m0/s1.
What are the key properties of (3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide?
(3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide has a molecular weight of 309.80 g/mol, XLogP of 1.79, 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-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 9081950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).