N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(methylamino)acetamide

C27H36Cl2N4O3 — CID 44562440

IUPACN-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(O)CC(C)C)CC1
InChIInChI=1S/C27H36Cl2N4O3/c1-18(2)14-25(34)21-6-4-5-7-24(21)32-10-12-33(13-11-32)27(36)23(31-26(35)17-30-3)15-19-8-9-20(28)16-22(19)29/h4-9,16,18,23,25,30,34H,10-15,17H2,1-3H3,(H,31,35)/t23-,25?/m1/s1
InChIKeyAXBQVTBYSIEJPU-XQZUBTRRSA-N
MW535.52 g/mol
LogP3.67
Rot. Bonds10

About N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(methylamino)acetamide

N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(methylamino)acetamide (PubChem CID 44562440) has the molecular formula C27H36Cl2N4O3 and a molecular weight of 535.52 g/mol. Its IUPAC name is N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(methylamino)acetamide
PubChem CID44562440
Molecular FormulaC27H36Cl2N4O3
Molecular Weight535.52 g/mol
Exact Mass534.22
IUPAC NameN-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(O)CC(C)C)CC1
InChIInChI=1S/C27H36Cl2N4O3/c1-18(2)14-25(34)21-6-4-5-7-24(21)32-10-12-33(13-11-32)27(36)23(31-26(35)17-30-3)15-19-8-9-20(28)16-22(19)29/h4-9,16,18,23,25,30,34H,10-15,17H2,1-3H3,(H,31,35)/t23-,25?/m1/s1
InChIKeyAXBQVTBYSIEJPU-XQZUBTRRSA-N
XLogP3.67
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.52
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(methylamino)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

(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-2-(propan-2-ylamino)propan-1-one
CID 44562362
3-amino-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxybutyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]propanamide
CID 44562497
3-amino-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-[1-hydroxy-2-(2-methoxyphenyl)ethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]propanamide
CID 44562538
(2R)-1-[4-[2-(1-amino-3-methylbutyl)phenyl]piperazin-1-yl]-2-(dibutylamino)-3-(2,4-dichlorophenyl)propan-1-one
CID 44562400
4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 9152960
N-[(1S)-1-[5-chloro-2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]phenyl]-2-methylpropyl]-2-(methylamino)acetamide
CID 44577062
2,4-dichloro-N-[1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 112800513
(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-fluoro-6-(2-methylpropyl)phenyl]piperazin-1-yl]-2-methylpropan-1-one
CID 143044279
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 18545117
N-[(1S)-1-[2-[4-[(2R)-3-(4-chloro-2-methoxyphenyl)-2-methylpropanoyl]piperazin-1-yl]-3-fluorophenyl]-2-methylpropyl]-2-(methylamino)acetamide
CID 44577091
3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119563571
(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[(1S)-1-hydroxyethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 11341811

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(methylamino)acetamide?
The IUPAC name of N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(methylamino)acetamide (CID 44562440) is N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(methylamino)acetamide?
The canonical SMILES for N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(methylamino)acetamide is CNCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C(O)CC(C)C)CC1.
What is the InChIKey of N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(methylamino)acetamide?
The InChIKey is AXBQVTBYSIEJPU-XQZUBTRRSA-N. The full InChI is InChI=1S/C27H36Cl2N4O3/c1-18(2)14-25(34)21-6-4-5-7-24(21)32-10-12-33(13-11-32)27(36)23(31-26(35)17-30-3)15-19-8-9-20(28)16-22(19)29/h4-9,16,18,23,25,30,34H,10-15,17H2,1-3H3,(H,31,35)/t23-,25?/m1/s1.
What are the key properties of N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(methylamino)acetamide?
N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(methylamino)acetamide has a molecular weight of 535.52 g/mol, XLogP of 3.67, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(methylamino)acetamide is sourced from PubChem (CID 44562440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).