N-[2-(4-chlorophenyl)-2-(4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]-2-[(2-phenoxyacetyl)amino]acetamide

C39H44ClN3O3 — CID 142052199

IUPACN-[2-(4-chlorophenyl)-2-(4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESCc1ccc(C(CCCN2CCC(c3ccccc3)CC2)(CNC(=O)CNC(=O)COc2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C39H44ClN3O3/c1-30-13-15-33(16-14-30)39(34-17-19-35(40)20-18-34,23-8-24-43-25-21-32(22-26-43)31-9-4-2-5-10-31)29-42-37(44)27-41-38(45)28-46-36-11-6-3-7-12-36/h2-7,9-20,32H,8,21-29H2,1H3,(H,41,45)(H,42,44)
InChIKeyXSSITEWAZATQCR-UHFFFAOYSA-N
MW638.25 g/mol
LogP6.91
Rot. Bonds14

About N-[2-(4-chlorophenyl)-2-(4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]-2-[(2-phenoxyacetyl)amino]acetamide

N-[2-(4-chlorophenyl)-2-(4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 142052199) has the molecular formula C39H44ClN3O3 and a molecular weight of 638.25 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-(4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-(4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]-2-[(2-phenoxyacetyl)amino]acetamide
PubChem CID142052199
Molecular FormulaC39H44ClN3O3
Molecular Weight638.25 g/mol
Exact Mass637.31
IUPAC NameN-[2-(4-chlorophenyl)-2-(4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESCc1ccc(C(CCCN2CCC(c3ccccc3)CC2)(CNC(=O)CNC(=O)COc2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C39H44ClN3O3/c1-30-13-15-33(16-14-30)39(34-17-19-35(40)20-18-34,23-8-24-43-25-21-32(22-26-43)31-9-4-2-5-10-31)29-42-37(44)27-41-38(45)28-46-36-11-6-3-7-12-36/h2-7,9-20,32H,8,21-29H2,1H3,(H,41,45)(H,42,44)
InChIKeyXSSITEWAZATQCR-UHFFFAOYSA-N
XLogP6.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.25
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-chlorophenyl)-2-(4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]-2-[(2-phenoxyacetyl)amino]acetamide with MolForge

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Related Compounds

tert-butyl N-[2-[[2,2-bis(4-chlorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]amino]-2-oxoethyl]carbamate
CID 70100459
[(2R)-1-[[2,2-diphenyl-5-(4-phenylpiperidin-1-yl)pentyl]amino]-1-oxopropan-2-yl]carbamic acid
CID 70098338
1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride
CID 139776325
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide
CID 111429566
N-[2,2-diphenyl-5-(4-phenylpiperidin-1-yl)pentyl]naphthalene-2-sulfonamide
CID 19045660
2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide
CID 119447721
N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-2-piperidin-4-ylacetamide
CID 70099387
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 16895737
2-(4-chlorophenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide
CID 27375916
N-(2-methyl-2-piperidin-1-ylpropyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 51164336
2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 42224572
1-phenoxy-3-(4-phenylpiperidin-1-yl)propan-2-one
CID 71325657

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-(4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-(4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]-2-[(2-phenoxyacetyl)amino]acetamide (CID 142052199) is N-[2-(4-chlorophenyl)-2-(4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]-2-[(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-(4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-(4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]-2-[(2-phenoxyacetyl)amino]acetamide is Cc1ccc(C(CCCN2CCC(c3ccccc3)CC2)(CNC(=O)CNC(=O)COc2ccccc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-(4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The InChIKey is XSSITEWAZATQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44ClN3O3/c1-30-13-15-33(16-14-30)39(34-17-19-35(40)20-18-34,23-8-24-43-25-21-32(22-26-43)31-9-4-2-5-10-31)29-42-37(44)27-41-38(45)28-46-36-11-6-3-7-12-36/h2-7,9-20,32H,8,21-29H2,1H3,(H,41,45)(H,42,44).
What are the key properties of N-[2-(4-chlorophenyl)-2-(4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]-2-[(2-phenoxyacetyl)amino]acetamide?
N-[2-(4-chlorophenyl)-2-(4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 638.25 g/mol, XLogP of 6.91, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-(4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]-2-[(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 142052199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).