N-[5-[4-[acetyl(methyl)amino]-4-phenylpiperidin-1-yl]-2-(3,4-dichlorophenyl)pentyl]-2-phenylacetamide

C33H39Cl2N3O2 — CID 22361698

IUPACN-[5-[4-[acetyl(methyl)amino]-4-phenylpiperidin-1-yl]-2-(3,4-dichlorophenyl)pentyl]-2-phenylacetamide
SMILESCC(=O)N(C)C1(c2ccccc2)CCN(CCCC(CNC(=O)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C33H39Cl2N3O2/c1-25(39)37(2)33(29-13-7-4-8-14-29)17-20-38(21-18-33)19-9-12-28(27-15-16-30(34)31(35)23-27)24-36-32(40)22-26-10-5-3-6-11-26/h3-8,10-11,13-16,23,28H,9,12,17-22,24H2,1-2H3,(H,36,40)
InChIKeyRZTCWCNLZGNQJH-UHFFFAOYSA-N
MW580.60 g/mol
LogP6.69
Rot. Bonds11

About N-[5-[4-[acetyl(methyl)amino]-4-phenylpiperidin-1-yl]-2-(3,4-dichlorophenyl)pentyl]-2-phenylacetamide

N-[5-[4-[acetyl(methyl)amino]-4-phenylpiperidin-1-yl]-2-(3,4-dichlorophenyl)pentyl]-2-phenylacetamide (PubChem CID 22361698) has the molecular formula C33H39Cl2N3O2 and a molecular weight of 580.60 g/mol. Its IUPAC name is N-[5-[4-[acetyl(methyl)amino]-4-phenylpiperidin-1-yl]-2-(3,4-dichlorophenyl)pentyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[4-[acetyl(methyl)amino]-4-phenylpiperidin-1-yl]-2-(3,4-dichlorophenyl)pentyl]-2-phenylacetamide
PubChem CID22361698
Molecular FormulaC33H39Cl2N3O2
Molecular Weight580.60 g/mol
Exact Mass579.24
IUPAC NameN-[5-[4-[acetyl(methyl)amino]-4-phenylpiperidin-1-yl]-2-(3,4-dichlorophenyl)pentyl]-2-phenylacetamide
SMILESCC(=O)N(C)C1(c2ccccc2)CCN(CCCC(CNC(=O)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C33H39Cl2N3O2/c1-25(39)37(2)33(29-13-7-4-8-14-29)17-20-38(21-18-33)19-9-12-28(27-15-16-30(34)31(35)23-27)24-36-32(40)22-26-10-5-3-6-11-26/h3-8,10-11,13-16,23,28H,9,12,17-22,24H2,1-2H3,(H,36,40)
InChIKeyRZTCWCNLZGNQJH-UHFFFAOYSA-N
XLogP6.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.60
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-N-methyl-2-phenylacetamide;hydrochloride
CID 70181188
N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide;butanedioic acid
CID 11534823
N-[5-(4-benzylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-2,4-dichlorobenzamide;hydrochloride
CID 21477563
N-[2-[2-(4-acetamido-4-phenylpiperidin-1-yl)ethyl-methylamino]-2-(3,4-dichlorophenyl)ethyl]-N-methyl-2-phenylacetamide;dihydrochloride
CID 19692454
N-[1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-N-methylacetamide;hydrate;hydrochloride
CID 139678217
N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide
CID 19592202
N-[4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-(2-hydroxyethyl)benzamide
CID 15296471
2-[4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]benzamide
CID 139692332
[3-(4-acetamido-4-phenylpiperidin-1-yl)-1-(3,4-dichlorophenyl)propyl] 3-phenylpropanoate
CID 54080014
N-[(2R)-2-(3,4-dichlorophenyl)-4-(1-oxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)butyl]benzamide
CID 22489373
N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)-N-methylpentanamide
CID 19029370
tert-butyl N-[5-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)hexyl]carbamate
CID 57032038

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[acetyl(methyl)amino]-4-phenylpiperidin-1-yl]-2-(3,4-dichlorophenyl)pentyl]-2-phenylacetamide?
The IUPAC name of N-[5-[4-[acetyl(methyl)amino]-4-phenylpiperidin-1-yl]-2-(3,4-dichlorophenyl)pentyl]-2-phenylacetamide (CID 22361698) is N-[5-[4-[acetyl(methyl)amino]-4-phenylpiperidin-1-yl]-2-(3,4-dichlorophenyl)pentyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[4-[acetyl(methyl)amino]-4-phenylpiperidin-1-yl]-2-(3,4-dichlorophenyl)pentyl]-2-phenylacetamide?
The canonical SMILES for N-[5-[4-[acetyl(methyl)amino]-4-phenylpiperidin-1-yl]-2-(3,4-dichlorophenyl)pentyl]-2-phenylacetamide is CC(=O)N(C)C1(c2ccccc2)CCN(CCCC(CNC(=O)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[5-[4-[acetyl(methyl)amino]-4-phenylpiperidin-1-yl]-2-(3,4-dichlorophenyl)pentyl]-2-phenylacetamide?
The InChIKey is RZTCWCNLZGNQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39Cl2N3O2/c1-25(39)37(2)33(29-13-7-4-8-14-29)17-20-38(21-18-33)19-9-12-28(27-15-16-30(34)31(35)23-27)24-36-32(40)22-26-10-5-3-6-11-26/h3-8,10-11,13-16,23,28H,9,12,17-22,24H2,1-2H3,(H,36,40).
What are the key properties of N-[5-[4-[acetyl(methyl)amino]-4-phenylpiperidin-1-yl]-2-(3,4-dichlorophenyl)pentyl]-2-phenylacetamide?
N-[5-[4-[acetyl(methyl)amino]-4-phenylpiperidin-1-yl]-2-(3,4-dichlorophenyl)pentyl]-2-phenylacetamide has a molecular weight of 580.60 g/mol, XLogP of 6.69, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[acetyl(methyl)amino]-4-phenylpiperidin-1-yl]-2-(3,4-dichlorophenyl)pentyl]-2-phenylacetamide is sourced from PubChem (CID 22361698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).