N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane

C30H37ClN2O2 — CID 145107785

IUPACN-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane
SMILESCC.Cc1ccccc1C(NC(=O)C1CCN(CCOc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C28H31ClN2O2.C2H6/c1-21-7-5-6-10-26(21)27(22-11-13-24(29)14-12-22)30-28(32)23-15-17-31(18-16-23)19-20-33-25-8-3-2-4-9-25;1-2/h2-14,23,27H,15-20H2,1H3,(H,30,32);1-2H3
InChIKeyZFUSKHJMWNHRMY-UHFFFAOYSA-N
MW493.09 g/mol
LogP6.67
Rot. Bonds8

About N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane

N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane (PubChem CID 145107785) has the molecular formula C30H37ClN2O2 and a molecular weight of 493.09 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane
PubChem CID145107785
Molecular FormulaC30H37ClN2O2
Molecular Weight493.09 g/mol
Exact Mass492.25
IUPAC NameN-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane
SMILESCC.Cc1ccccc1C(NC(=O)C1CCN(CCOc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C28H31ClN2O2.C2H6/c1-21-7-5-6-10-26(21)27(22-11-13-24(29)14-12-22)30-28(32)23-15-17-31(18-16-23)19-20-33-25-8-3-2-4-9-25;1-2/h2-14,23,27H,15-20H2,1H3,(H,30,32);1-2H3
InChIKeyZFUSKHJMWNHRMY-UHFFFAOYSA-N
XLogP6.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.09
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121427392
N-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121427342
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(3-phenoxypropyl)piperidine-4-carboxamide
CID 137423539
(4-chlorophenyl)-pyridin-2-ylmethanamine;N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;1-(2-phenoxyethyl)piperidine-4-carboxylic acid
CID 161097139
1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 137423514
N-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 137423554
(Z)-but-2-ene;N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(3-phenoxypropyl)piperidine-4-carboxamide;ethane
CID 145107795
N-[(S)-(4-chlorophenyl)-(2-fluorophenyl)methyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 137423617
1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 137423471
(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methanamine;N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;methane;1-(2-phenoxyethyl)piperidine-4-carboxylic acid
CID 160555588
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 137423495
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,6-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 121413311

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane?
The IUPAC name of N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane (CID 145107785) is N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane.
What is the SMILES notation for N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane?
The canonical SMILES for N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane is CC.Cc1ccccc1C(NC(=O)C1CCN(CCOc2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane?
The InChIKey is ZFUSKHJMWNHRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN2O2.C2H6/c1-21-7-5-6-10-26(21)27(22-11-13-24(29)14-12-22)30-28(32)23-15-17-31(18-16-23)19-20-33-25-8-3-2-4-9-25;1-2/h2-14,23,27H,15-20H2,1H3,(H,30,32);1-2H3.
What are the key properties of N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane?
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane has a molecular weight of 493.09 g/mol, XLogP of 6.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane is sourced from PubChem (CID 145107785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).