N-[(4-chlorophenyl)-phenylmethyl]-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]acetamide

C23H29ClN4O2 — CID 45281440

IUPACN-[(4-chlorophenyl)-phenylmethyl]-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCN(CC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H29ClN4O2/c1-26(2)22(30)17-28-14-12-27(13-15-28)16-21(29)25-23(18-6-4-3-5-7-18)19-8-10-20(24)11-9-19/h3-11,23H,12-17H2,1-2H3,(H,25,29)
InChIKeyZNPANFVZDBHSIS-UHFFFAOYSA-N
MW428.96 g/mol
LogP2.25
Rot. Bonds7

About N-[(4-chlorophenyl)-phenylmethyl]-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]acetamide

N-[(4-chlorophenyl)-phenylmethyl]-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 45281440) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethyl]-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethyl]-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID45281440
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC NameN-[(4-chlorophenyl)-phenylmethyl]-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCN(CC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H29ClN4O2/c1-26(2)22(30)17-28-14-12-27(13-15-28)16-21(29)25-23(18-6-4-3-5-7-18)19-8-10-20(24)11-9-19/h3-11,23H,12-17H2,1-2H3,(H,25,29)
InChIKeyZNPANFVZDBHSIS-UHFFFAOYSA-N
XLogP2.25
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)-phenylmethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide
CID 134043087
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46444318
2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 18088811
2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide
CID 1439299
N-butan-2-yl-2-[4-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 78898039
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464684
2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide
CID 2466705
2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-[3-(dimethylamino)-1,4-dioxonaphthalen-2-yl]-N-methylacetamide
CID 11387366
N-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2681889
2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 30988567
2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8904136
N-[1-(4-chlorophenyl)ethyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 42914266

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]acetamide (CID 45281440) is N-[(4-chlorophenyl)-phenylmethyl]-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethyl]-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethyl]-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]acetamide is CN(C)C(=O)CN1CCN(CC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethyl]-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is ZNPANFVZDBHSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-26(2)22(30)17-28-14-12-27(13-15-28)16-21(29)25-23(18-6-4-3-5-7-18)19-8-10-20(24)11-9-19/h3-11,23H,12-17H2,1-2H3,(H,25,29).
What are the key properties of N-[(4-chlorophenyl)-phenylmethyl]-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
N-[(4-chlorophenyl)-phenylmethyl]-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 428.96 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-phenylmethyl]-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 45281440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).