(2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide

C14H16Cl2N2O2 — CID 146129699

IUPAC(2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCCC(=O)N1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O2/c1-8(9-5-6-10(15)11(16)7-9)17-14(20)12-3-2-4-13(19)18-12/h5-8,12H,2-4H2,1H3,(H,17,20)(H,18,19)/t8-,12+/m0/s1
InChIKeyGOXODLWFNRBOIB-QPUJVOFHSA-N
MW315.20 g/mol
LogP2.84
Rot. Bonds3

About (2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide

(2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide (PubChem CID 146129699) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide
PubChem CID146129699
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name(2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCCC(=O)N1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O2/c1-8(9-5-6-10(15)11(16)7-9)17-14(20)12-3-2-4-13(19)18-12/h5-8,12H,2-4H2,1H3,(H,17,20)(H,18,19)/t8-,12+/m0/s1
InChIKeyGOXODLWFNRBOIB-QPUJVOFHSA-N
XLogP2.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide
CID 31462274
N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78981822
2-[1-(3,4-dichlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978108
cis-(1S,2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31462999
N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide
CID 47004753
(2R)-5-oxo-N-[(1R)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 95335645
(2R)-N-[2-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide
CID 146133576
N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 63714822
5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 110743910
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 30207052
3-[1-(3,4-dichlorophenyl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 45330660

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide (CID 146129699) is (2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide is C[C@H](NC(=O)[C@H]1CCCC(=O)N1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide?
The InChIKey is GOXODLWFNRBOIB-QPUJVOFHSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-8(9-5-6-10(15)11(16)7-9)17-14(20)12-3-2-4-13(19)18-12/h5-8,12H,2-4H2,1H3,(H,17,20)(H,18,19)/t8-,12+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide?
(2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide has a molecular weight of 315.20 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 146129699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).