N-(2-chlorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide

C28H31ClN4O2 — CID 30627238

IUPACN-(2-chlorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
SMILESC[C@H](NC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H31ClN4O2/c1-21(22-11-13-24(14-12-22)23-7-3-2-4-8-23)30-27(34)19-32-15-17-33(18-16-32)20-28(35)31-26-10-6-5-9-25(26)29/h2-14,21H,15-20H2,1H3,(H,30,34)(H,31,35)/t21-/m0/s1
InChIKeySVJNWRSXCKJJER-NRFANRHFSA-N
MW491.04 g/mol
LogP4.44
Rot. Bonds8

About N-(2-chlorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide (PubChem CID 30627238) has the molecular formula C28H31ClN4O2 and a molecular weight of 491.04 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
PubChem CID30627238
Molecular FormulaC28H31ClN4O2
Molecular Weight491.04 g/mol
Exact Mass490.21
IUPAC NameN-(2-chlorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
SMILESC[C@H](NC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H31ClN4O2/c1-21(22-11-13-24(14-12-22)23-7-3-2-4-8-23)30-27(34)19-32-15-17-33(18-16-32)20-28(35)31-26-10-6-5-9-25(26)29/h2-14,21H,15-20H2,1H3,(H,30,34)(H,31,35)/t21-/m0/s1
InChIKeySVJNWRSXCKJJER-NRFANRHFSA-N
XLogP4.44
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.04
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 51624224
2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323
N-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30625656
2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 40813283
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 22194707
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
N-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide
CID 9020714
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30653763
N-butyl-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30653757

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide (CID 30627238) is N-(2-chlorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide is C[C@H](NC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide?
The InChIKey is SVJNWRSXCKJJER-NRFANRHFSA-N. The full InChI is InChI=1S/C28H31ClN4O2/c1-21(22-11-13-24(14-12-22)23-7-3-2-4-8-23)30-27(34)19-32-15-17-33(18-16-32)20-28(35)31-26-10-6-5-9-25(26)29/h2-14,21H,15-20H2,1H3,(H,30,34)(H,31,35)/t21-/m0/s1.
What are the key properties of N-(2-chlorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide has a molecular weight of 491.04 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30627238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).