N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[4-(3-methylbutyl)piperazin-1-yl]acetamide

C23H37ClN4O — CID 55738308

IUPACN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[4-(3-methylbutyl)piperazin-1-yl]acetamide
SMILESCC(C)CCN1CCN(CC(=O)NCC(c2ccccc2Cl)N2CCCC2)CC1
InChIInChI=1S/C23H37ClN4O/c1-19(2)9-12-26-13-15-27(16-14-26)18-23(29)25-17-22(28-10-5-6-11-28)20-7-3-4-8-21(20)24/h3-4,7-8,19,22H,5-6,9-18H2,1-2H3,(H,25,29)
InChIKeyZJUUBONGJIYKJP-UHFFFAOYSA-N
MW421.03 g/mol
LogP3.26
Rot. Bonds9

About N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[4-(3-methylbutyl)piperazin-1-yl]acetamide

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[4-(3-methylbutyl)piperazin-1-yl]acetamide (PubChem CID 55738308) has the molecular formula C23H37ClN4O and a molecular weight of 421.03 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[4-(3-methylbutyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[4-(3-methylbutyl)piperazin-1-yl]acetamide
PubChem CID55738308
Molecular FormulaC23H37ClN4O
Molecular Weight421.03 g/mol
Exact Mass420.27
IUPAC NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[4-(3-methylbutyl)piperazin-1-yl]acetamide
SMILESCC(C)CCN1CCN(CC(=O)NCC(c2ccccc2Cl)N2CCCC2)CC1
InChIInChI=1S/C23H37ClN4O/c1-19(2)9-12-26-13-15-27(16-14-26)18-23(29)25-17-22(28-10-5-6-11-28)20-7-3-4-8-21(20)24/h3-4,7-8,19,22H,5-6,9-18H2,1-2H3,(H,25,29)
InChIKeyZJUUBONGJIYKJP-UHFFFAOYSA-N
XLogP3.26
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.03
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[4-(3-methylbutyl)piperazin-1-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-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984684
3-[[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 122120321
N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenoxy)acetamide
CID 35043345
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 134010431
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-naphthalen-1-ylacetamide
CID 35043919
N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24638629
methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 112504723
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 24534614
N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide
CID 35043337
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 35043648
N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 24638619
N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 112504694

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[4-(3-methylbutyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[4-(3-methylbutyl)piperazin-1-yl]acetamide (CID 55738308) is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[4-(3-methylbutyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[4-(3-methylbutyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[4-(3-methylbutyl)piperazin-1-yl]acetamide is CC(C)CCN1CCN(CC(=O)NCC(c2ccccc2Cl)N2CCCC2)CC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[4-(3-methylbutyl)piperazin-1-yl]acetamide?
The InChIKey is ZJUUBONGJIYKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37ClN4O/c1-19(2)9-12-26-13-15-27(16-14-26)18-23(29)25-17-22(28-10-5-6-11-28)20-7-3-4-8-21(20)24/h3-4,7-8,19,22H,5-6,9-18H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[4-(3-methylbutyl)piperazin-1-yl]acetamide?
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[4-(3-methylbutyl)piperazin-1-yl]acetamide has a molecular weight of 421.03 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[4-(3-methylbutyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55738308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).