N-[1-benzyl-4-(3-pyrrol-1-ylphenyl)piperidin-4-yl]acetamide

C24H27N3O — CID 143477247

IUPACN-[1-benzyl-4-(3-pyrrol-1-ylphenyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2cccc(-n3cccc3)c2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H27N3O/c1-20(28)25-24(22-10-7-11-23(18-22)27-14-5-6-15-27)12-16-26(17-13-24)19-21-8-3-2-4-9-21/h2-11,14-15,18H,12-13,16-17,19H2,1H3,(H,25,28)
InChIKeyZVAHHUODAUESPB-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.10
Rot. Bonds5

About N-[1-benzyl-4-(3-pyrrol-1-ylphenyl)piperidin-4-yl]acetamide

N-[1-benzyl-4-(3-pyrrol-1-ylphenyl)piperidin-4-yl]acetamide (PubChem CID 143477247) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[1-benzyl-4-(3-pyrrol-1-ylphenyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-benzyl-4-(3-pyrrol-1-ylphenyl)piperidin-4-yl]acetamide
PubChem CID143477247
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-[1-benzyl-4-(3-pyrrol-1-ylphenyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2cccc(-n3cccc3)c2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H27N3O/c1-20(28)25-24(22-10-7-11-23(18-22)27-14-5-6-15-27)12-16-26(17-13-24)19-21-8-3-2-4-9-21/h2-11,14-15,18H,12-13,16-17,19H2,1H3,(H,25,28)
InChIKeyZVAHHUODAUESPB-UHFFFAOYSA-N
XLogP4.10
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-benzyl-4-(3-pyrrol-1-ylphenyl)piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-benzyl-4-(3-fluorophenyl)piperidin-4-yl]acetamide
CID 68830269
(4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 17462290
bis(1-benzyl-4-phenyl-N-(2-phenylethyl)piperidin-4-amine);oxalic acid
CID 173182081
N-[4-(4-fluorophenyl)-1-[[3-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-yl]acetamide
CID 16673781
N-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]acetamide
CID 110221442
[3-(4-acetamido-4-phenylpiperidin-1-yl)-1-(3,4-dichlorophenyl)propyl] 3-phenylpropanoate
CID 54080014
N-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetamide
CID 71111619
methyl (E)-3-(1-benzyl-4-phenylpiperidin-4-yl)prop-2-enoate
CID 20608997
cis-(1S,2R)-2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 142777906
1-benzyl-4-methoxy-4-phenylpiperidine
CID 170986894
2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 68771380
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3-pyrrol-1-ylbenzamide
CID 17392035

Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-4-(3-pyrrol-1-ylphenyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-benzyl-4-(3-pyrrol-1-ylphenyl)piperidin-4-yl]acetamide (CID 143477247) is N-[1-benzyl-4-(3-pyrrol-1-ylphenyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-benzyl-4-(3-pyrrol-1-ylphenyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-benzyl-4-(3-pyrrol-1-ylphenyl)piperidin-4-yl]acetamide is CC(=O)NC1(c2cccc(-n3cccc3)c2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[1-benzyl-4-(3-pyrrol-1-ylphenyl)piperidin-4-yl]acetamide?
The InChIKey is ZVAHHUODAUESPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-20(28)25-24(22-10-7-11-23(18-22)27-14-5-6-15-27)12-16-26(17-13-24)19-21-8-3-2-4-9-21/h2-11,14-15,18H,12-13,16-17,19H2,1H3,(H,25,28).
What are the key properties of N-[1-benzyl-4-(3-pyrrol-1-ylphenyl)piperidin-4-yl]acetamide?
N-[1-benzyl-4-(3-pyrrol-1-ylphenyl)piperidin-4-yl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-4-(3-pyrrol-1-ylphenyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 143477247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).