(3R)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide

C21H24Cl2N2O2 — CID 100778089

IUPAC(3R)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C21H24Cl2N2O2/c1-24(18-7-9-19(27-2)10-8-18)21(26)16-4-3-11-25(14-16)13-15-5-6-17(22)12-20(15)23/h5-10,12,16H,3-4,11,13-14H2,1-2H3/t16-/m1/s1
InChIKeyAHBJVOWWYUBYJZ-MRXNPFEDSA-N
MW407.34 g/mol
LogP4.88
Rot. Bonds5

About (3R)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide

(3R)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide (PubChem CID 100778089) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is (3R)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
PubChem CID100778089
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC Name(3R)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C21H24Cl2N2O2/c1-24(18-7-9-19(27-2)10-8-18)21(26)16-4-3-11-25(14-16)13-15-5-6-17(22)12-20(15)23/h5-10,12,16H,3-4,11,13-14H2,1-2H3/t16-/m1/s1
InChIKeyAHBJVOWWYUBYJZ-MRXNPFEDSA-N
XLogP4.88
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 133159211
(3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 100777734
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 93490651
(3S)-1-[(2,4-dichlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 762813
(3R)-1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 100777740
(3R)-N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93491426
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-3-carboxamide
CID 43934743
N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921942
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-3-carboxamide
CID 43930983
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 93492122
(4-chlorophenyl)-[1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 23723667
(3R)-N-[(2S)-butan-2-yl]-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490067

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide (CID 100778089) is (3R)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide is COc1ccc(N(C)C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1.
What is the InChIKey of (3R)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is AHBJVOWWYUBYJZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24Cl2N2O2/c1-24(18-7-9-19(27-2)10-8-18)21(26)16-4-3-11-25(14-16)13-15-5-6-17(22)12-20(15)23/h5-10,12,16H,3-4,11,13-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide?
(3R)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 407.34 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 100778089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).