(3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide

C13H16Cl2N2O — CID 96596420

IUPAC(3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H16Cl2N2O/c1-17-6-2-3-9(8-17)13(18)16-10-4-5-11(14)12(15)7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)/t9-/m0/s1
InChIKeyRRCYGZRZBYQPDA-VIFPVBQESA-N
MW287.19 g/mol
LogP3.27
Rot. Bonds2

About (3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide

(3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide (PubChem CID 96596420) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is (3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide
PubChem CID96596420
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name(3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H16Cl2N2O/c1-17-6-2-3-9(8-17)13(18)16-10-4-5-11(14)12(15)7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)/t9-/m0/s1
InChIKeyRRCYGZRZBYQPDA-VIFPVBQESA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide
CID 99773447
methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate
CID 95923491
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
(3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide
CID 96596050
N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859260
(3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 51941064
(3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94161112
N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
CID 110865367
(3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 96595344
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide (CID 96596420) is (3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide is CN1CCC[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide?
The InChIKey is RRCYGZRZBYQPDA-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-17-6-2-3-9(8-17)13(18)16-10-4-5-11(14)12(15)7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)/t9-/m0/s1.
What are the key properties of (3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide?
(3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide has a molecular weight of 287.19 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 96596420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).