N-[2-[(2S)-3-[4-[(4-chlorophenyl)methyl]-2-oxopiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide

C22H26ClN3O4 — CID 25116230

IUPACN-[2-[(2S)-3-[4-[(4-chlorophenyl)methyl]-2-oxopiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OC[C@@H](O)CN1CCN(Cc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C22H26ClN3O4/c1-16(27)24-20-4-2-3-5-21(20)30-15-19(28)13-26-11-10-25(14-22(26)29)12-17-6-8-18(23)9-7-17/h2-9,19,28H,10-15H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeyAMAYHOJLGBJYJZ-IBGZPJMESA-N
MW431.92 g/mol
LogP2.38
Rot. Bonds8

About N-[2-[(2S)-3-[4-[(4-chlorophenyl)methyl]-2-oxopiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide

N-[2-[(2S)-3-[4-[(4-chlorophenyl)methyl]-2-oxopiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 25116230) has the molecular formula C22H26ClN3O4 and a molecular weight of 431.92 g/mol. Its IUPAC name is N-[2-[(2S)-3-[4-[(4-chlorophenyl)methyl]-2-oxopiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-3-[4-[(4-chlorophenyl)methyl]-2-oxopiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
PubChem CID25116230
Molecular FormulaC22H26ClN3O4
Molecular Weight431.92 g/mol
Exact Mass431.16
IUPAC NameN-[2-[(2S)-3-[4-[(4-chlorophenyl)methyl]-2-oxopiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OC[C@@H](O)CN1CCN(Cc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C22H26ClN3O4/c1-16(27)24-20-4-2-3-5-21(20)30-15-19(28)13-26-11-10-25(14-22(26)29)12-17-6-8-18(23)9-7-17/h2-9,19,28H,10-15H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeyAMAYHOJLGBJYJZ-IBGZPJMESA-N
XLogP2.38
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2R)-3-[4-[(4-chlorophenyl)methyl]-2-oxopiperazin-1-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide
CID 25116462
4-[(4-chlorophenyl)methyl]-1-[(2S)-3-[4-chloro-2-(pyrrolidine-1-carbonyl)phenoxy]-2-hydroxypropyl]piperazin-2-one
CID 71050335
N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 10159022
N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 3795191
N-[2-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 97243371
N-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 3558526
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 3747865
N-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]acetamide
CID 57259350
N-[2-[(2R)-3-(5-chlorospiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 25057688
2-[2-[3-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 91556632
N-[2-[(2R)-3-(5-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 68963446
(2S)-1-(2-bromophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 34207169

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-3-[4-[(4-chlorophenyl)methyl]-2-oxopiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of N-[2-[(2S)-3-[4-[(4-chlorophenyl)methyl]-2-oxopiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide (CID 25116230) is N-[2-[(2S)-3-[4-[(4-chlorophenyl)methyl]-2-oxopiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[(2S)-3-[4-[(4-chlorophenyl)methyl]-2-oxopiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[(2S)-3-[4-[(4-chlorophenyl)methyl]-2-oxopiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OC[C@@H](O)CN1CCN(Cc2ccc(Cl)cc2)CC1=O.
What is the InChIKey of N-[2-[(2S)-3-[4-[(4-chlorophenyl)methyl]-2-oxopiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is AMAYHOJLGBJYJZ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26ClN3O4/c1-16(27)24-20-4-2-3-5-21(20)30-15-19(28)13-26-11-10-25(14-22(26)29)12-17-6-8-18(23)9-7-17/h2-9,19,28H,10-15H2,1H3,(H,24,27)/t19-/m0/s1.
What are the key properties of N-[2-[(2S)-3-[4-[(4-chlorophenyl)methyl]-2-oxopiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
N-[2-[(2S)-3-[4-[(4-chlorophenyl)methyl]-2-oxopiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 431.92 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-3-[4-[(4-chlorophenyl)methyl]-2-oxopiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 25116230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).