N-[(2R,4S)-2-[(4-chlorophenyl)methyl]-1-(3,5-dichlorobenzoyl)piperidin-4-yl]acetamide

C21H21Cl3N2O2 — CID 54003797

IUPACN-[(2R,4S)-2-[(4-chlorophenyl)methyl]-1-(3,5-dichlorobenzoyl)piperidin-4-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@H](Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H21Cl3N2O2/c1-13(27)25-19-6-7-26(21(28)15-9-17(23)11-18(24)10-15)20(12-19)8-14-2-4-16(22)5-3-14/h2-5,9-11,19-20H,6-8,12H2,1H3,(H,25,27)/t19-,20+/m0/s1
InChIKeyKNLBAXZBXIGPGS-VQTJNVASSA-N
MW439.77 g/mol
LogP5.00
Rot. Bonds4

About N-[(2R,4S)-2-[(4-chlorophenyl)methyl]-1-(3,5-dichlorobenzoyl)piperidin-4-yl]acetamide

N-[(2R,4S)-2-[(4-chlorophenyl)methyl]-1-(3,5-dichlorobenzoyl)piperidin-4-yl]acetamide (PubChem CID 54003797) has the molecular formula C21H21Cl3N2O2 and a molecular weight of 439.77 g/mol. Its IUPAC name is N-[(2R,4S)-2-[(4-chlorophenyl)methyl]-1-(3,5-dichlorobenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4S)-2-[(4-chlorophenyl)methyl]-1-(3,5-dichlorobenzoyl)piperidin-4-yl]acetamide
PubChem CID54003797
Molecular FormulaC21H21Cl3N2O2
Molecular Weight439.77 g/mol
Exact Mass438.07
IUPAC NameN-[(2R,4S)-2-[(4-chlorophenyl)methyl]-1-(3,5-dichlorobenzoyl)piperidin-4-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@H](Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H21Cl3N2O2/c1-13(27)25-19-6-7-26(21(28)15-9-17(23)11-18(24)10-15)20(12-19)8-14-2-4-16(22)5-3-14/h2-5,9-11,19-20H,6-8,12H2,1H3,(H,25,27)/t19-,20+/m0/s1
InChIKeyKNLBAXZBXIGPGS-VQTJNVASSA-N
XLogP5.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.77
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R,4S)-2-[(4-cyanophenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidin-4-yl]acetamide
CID 54236554
N-[(2R,4S)-1-(3,5-dimethylbenzoyl)-2-[(4-nitrophenyl)methyl]piperidin-4-yl]acetamide
CID 54489859
[2-[(2R,4S)-4-acetamido-2-[(4-chlorophenyl)methyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate
CID 56984893
[(1S)-2-[(2R,4S)-4-acetamido-2-[(4-chlorophenyl)methyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate
CID 78358171
1-[3-[[[(2R,4S)-2-benzyl-1-(3,5-dichlorobenzoyl)piperidin-4-yl]amino]methyl]indol-1-yl]ethanone
CID 56989146
[(2S,4S)-2-benzyl-4-[2-(4-chlorophenyl)ethylamino]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 57053086
2-[[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]acetamide
CID 54022110
[(2S,4S)-2-benzyl-4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 22851598
[(2S,4S)-2-benzyl-4-[2-(4-chlorophenyl)ethylamino]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 22851591
[(2R,4S)-2-benzyl-4-[2-(4-chlorophenyl)ethylamino]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 22851576
N-[(2R,4S)-2-benzyl-1-(3,5-dichlorobenzoyl)piperidin-4-yl]-5-methoxy-1H-indole-2-carboxamide
CID 56983424
N-[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]-7-methyl-4-oxochromene-2-carboxamide
CID 19974793

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-2-[(4-chlorophenyl)methyl]-1-(3,5-dichlorobenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[(2R,4S)-2-[(4-chlorophenyl)methyl]-1-(3,5-dichlorobenzoyl)piperidin-4-yl]acetamide (CID 54003797) is N-[(2R,4S)-2-[(4-chlorophenyl)methyl]-1-(3,5-dichlorobenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4S)-2-[(4-chlorophenyl)methyl]-1-(3,5-dichlorobenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[(2R,4S)-2-[(4-chlorophenyl)methyl]-1-(3,5-dichlorobenzoyl)piperidin-4-yl]acetamide is CC(=O)N[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@H](Cc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(2R,4S)-2-[(4-chlorophenyl)methyl]-1-(3,5-dichlorobenzoyl)piperidin-4-yl]acetamide?
The InChIKey is KNLBAXZBXIGPGS-VQTJNVASSA-N. The full InChI is InChI=1S/C21H21Cl3N2O2/c1-13(27)25-19-6-7-26(21(28)15-9-17(23)11-18(24)10-15)20(12-19)8-14-2-4-16(22)5-3-14/h2-5,9-11,19-20H,6-8,12H2,1H3,(H,25,27)/t19-,20+/m0/s1.
What are the key properties of N-[(2R,4S)-2-[(4-chlorophenyl)methyl]-1-(3,5-dichlorobenzoyl)piperidin-4-yl]acetamide?
N-[(2R,4S)-2-[(4-chlorophenyl)methyl]-1-(3,5-dichlorobenzoyl)piperidin-4-yl]acetamide has a molecular weight of 439.77 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-2-[(4-chlorophenyl)methyl]-1-(3,5-dichlorobenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 54003797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).