(3R)-1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide

C22H25Cl2N3O2 — CID 42538132

IUPAC(3R)-1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1
InChIInChI=1S/C22H25Cl2N3O2/c1-26(13-16-9-10-19(23)20(24)12-16)21(28)15-27-11-5-6-17(14-27)22(29)25-18-7-3-2-4-8-18/h2-4,7-10,12,17H,5-6,11,13-15H2,1H3,(H,25,29)/t17-/m1/s1
InChIKeyKPIQYQXKBIHFIB-QGZVFWFLSA-N
MW434.37 g/mol
LogP4.30
Rot. Bonds6

About (3R)-1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide

(3R)-1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 42538132) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is (3R)-1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
PubChem CID42538132
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name(3R)-1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1
InChIInChI=1S/C22H25Cl2N3O2/c1-26(13-16-9-10-19(23)20(24)12-16)21(28)15-27-11-5-6-17(14-27)22(29)25-18-7-3-2-4-8-18/h2-4,7-10,12,17H,5-6,11,13-15H2,1H3,(H,25,29)/t17-/m1/s1
InChIKeyKPIQYQXKBIHFIB-QGZVFWFLSA-N
XLogP4.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 42538408
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
N-[(3,4-dichlorophenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 111123262
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 55412914
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
1-[(2-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925064
1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
CID 43918962
N-(5-chloro-2-pyridinyl)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 55815935
N-(2-aminoethyl)-1-[2-[benzyl(methyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119916928
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide (CID 42538132) is (3R)-1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1.
What is the InChIKey of (3R)-1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is KPIQYQXKBIHFIB-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c1-26(13-16-9-10-19(23)20(24)12-16)21(28)15-27-11-5-6-17(14-27)22(29)25-18-7-3-2-4-8-18/h2-4,7-10,12,17H,5-6,11,13-15H2,1H3,(H,25,29)/t17-/m1/s1.
What are the key properties of (3R)-1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
(3R)-1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 434.37 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 42538132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).