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

C14H16Cl2N2O2 — CID 146133576

IUPAC(2R)-N-[2-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide
SMILESO=C1CCC[C@H](C(=O)NCCc2ccc(Cl)c(Cl)c2)N1
InChIInChI=1S/C14H16Cl2N2O2/c15-10-5-4-9(8-11(10)16)6-7-17-14(20)12-2-1-3-13(19)18-12/h4-5,8,12H,1-3,6-7H2,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyNVKRHBHQRCOMQP-GFCCVEGCSA-N
MW315.20 g/mol
LogP2.32
Rot. Bonds4

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

(2R)-N-[2-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide (PubChem CID 146133576) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is (2R)-N-[2-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide
PubChem CID146133576
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name(2R)-N-[2-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide
SMILESO=C1CCC[C@H](C(=O)NCCc2ccc(Cl)c(Cl)c2)N1
InChIInChI=1S/C14H16Cl2N2O2/c15-10-5-4-9(8-11(10)16)6-7-17-14(20)12-2-1-3-13(19)18-12/h4-5,8,12H,1-3,6-7H2,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyNVKRHBHQRCOMQP-GFCCVEGCSA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

BRL 52537 hydrochloride
CID 11315337
(S)-6-Amino-N-((S)-6-Amino-1-(((1r,4s)-4-Guanidinocyclohexyl)methylamino)-1-Oxohexan-2-Yl)-2-(2-(3,4-Dichlorophenyl)acetamido)hexanamide
CID 71296029
1-[(3S)-4-[2-(3,4-dichlorophenyl)acetyl]-3-[(1S)-1-pyrrolidin-1-ylethyl]piperazin-1-yl]propan-1-one
CID 10342393
2-(3,4-Dichlorophenyl)-1-[2-(1-pyrrolidinylmethyl)-1-piperidinyl]ethanone
CID 5244802
2-(3,4-dichlorophenyl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 6603740
1-{1-[2-(3,4-Dichloro-phenyl)-acetyl]-piperidin-2-ylmethyl}-pyrrolidin-3-one
CID 9891527
(threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-dimethylamino-ethyl)-piperidin-1-yl]-ethanone(HCl)
CID 14810989
(threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-methyl-pyrrolidin-2-yl)-piperidin-1-yl]-ethanone(HCl)
CID 14810996
N-[2-(4-chlorophenyl)ethyl]-N'-isopropylethanediamide
CID 2290457
(+/-)-threo-3'',4''-Dichloromethylphenidate amide
CID 52941144
2-(3,4-dichlorophenyl)-1-[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 14810952
2-(3,4-Dichloro-phenyl)-1-(2-piperidin-1-ylmethyl-piperidin-1-yl)-ethanone
CID 14810957

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide (CID 146133576) is (2R)-N-[2-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide is O=C1CCC[C@H](C(=O)NCCc2ccc(Cl)c(Cl)c2)N1.
What is the InChIKey of (2R)-N-[2-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide?
The InChIKey is NVKRHBHQRCOMQP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c15-10-5-4-9(8-11(10)16)6-7-17-14(20)12-2-1-3-13(19)18-12/h4-5,8,12H,1-3,6-7H2,(H,17,20)(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-N-[2-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide?
(2R)-N-[2-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide has a molecular weight of 315.20 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 146133576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).