N-[(1S)-1-[5-chloro-2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]phenyl]-2-methylpropyl]-2-(methylamino)acetamide

C27H36Cl2N4O2 — CID 44577062

IUPACN-[(1S)-1-[5-chloro-2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]phenyl]-2-methylpropyl]-2-(methylamino)acetamide
SMILESCNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C
InChIInChI=1S/C27H36Cl2N4O2/c1-18(2)26(31-25(34)17-30-4)23-16-22(29)9-10-24(23)32-11-13-33(14-12-32)27(35)19(3)15-20-5-7-21(28)8-6-20/h5-10,16,18-19,26,30H,11-15,17H2,1-4H3,(H,31,34)/t19-,26+/m1/s1
InChIKeyTVCZNUJSXSNMJP-BCHFMIIMSA-N
MW519.52 g/mol
LogP4.55
Rot. Bonds9

About N-[(1S)-1-[5-chloro-2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]phenyl]-2-methylpropyl]-2-(methylamino)acetamide

N-[(1S)-1-[5-chloro-2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]phenyl]-2-methylpropyl]-2-(methylamino)acetamide (PubChem CID 44577062) has the molecular formula C27H36Cl2N4O2 and a molecular weight of 519.52 g/mol. Its IUPAC name is N-[(1S)-1-[5-chloro-2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]phenyl]-2-methylpropyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-chloro-2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]phenyl]-2-methylpropyl]-2-(methylamino)acetamide
PubChem CID44577062
Molecular FormulaC27H36Cl2N4O2
Molecular Weight519.52 g/mol
Exact Mass518.22
IUPAC NameN-[(1S)-1-[5-chloro-2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]phenyl]-2-methylpropyl]-2-(methylamino)acetamide
SMILESCNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C
InChIInChI=1S/C27H36Cl2N4O2/c1-18(2)26(31-25(34)17-30-4)23-16-22(29)9-10-24(23)32-11-13-33(14-12-32)27(35)19(3)15-20-5-7-21(28)8-6-20/h5-10,16,18-19,26,30H,11-15,17H2,1-4H3,(H,31,34)/t19-,26+/m1/s1
InChIKeyTVCZNUJSXSNMJP-BCHFMIIMSA-N
XLogP4.55
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.52
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-[5-chloro-2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]phenyl]-2-methylpropyl]-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

(S)-N-[(1S)-1-[5-chloro-2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]phenyl]-3-methylbutyl]-2-methylpropane-2-sulfinamide
CID 24740422
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
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
(2R)-3-(4-chloro-2-methoxyphenyl)-2-methyl-1-[4-[2-[(1S)-2-methyl-1-(methylamino)propyl]-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;propane
CID 91521893
(3R)-1-[(2S)-3-(4-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide
CID 97244120
3-(4-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110420494
N-[1-[3-(4-chlorophenyl)-2-[[2-(methylamino)acetyl]amino]propanoyl]pyrrolidin-3-yl]-N-cyclohexyl-2-methylpropanamide
CID 11753741
1-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119887891
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-methylbutanamide
CID 17066063
(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
1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone
CID 120704753
N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide
CID 4010139

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-chloro-2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]phenyl]-2-methylpropyl]-2-(methylamino)acetamide?
The IUPAC name of N-[(1S)-1-[5-chloro-2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]phenyl]-2-methylpropyl]-2-(methylamino)acetamide (CID 44577062) is N-[(1S)-1-[5-chloro-2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]phenyl]-2-methylpropyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[(1S)-1-[5-chloro-2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]phenyl]-2-methylpropyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[(1S)-1-[5-chloro-2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]phenyl]-2-methylpropyl]-2-(methylamino)acetamide is CNCC(=O)N[C@H](c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C.
What is the InChIKey of N-[(1S)-1-[5-chloro-2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]phenyl]-2-methylpropyl]-2-(methylamino)acetamide?
The InChIKey is TVCZNUJSXSNMJP-BCHFMIIMSA-N. The full InChI is InChI=1S/C27H36Cl2N4O2/c1-18(2)26(31-25(34)17-30-4)23-16-22(29)9-10-24(23)32-11-13-33(14-12-32)27(35)19(3)15-20-5-7-21(28)8-6-20/h5-10,16,18-19,26,30H,11-15,17H2,1-4H3,(H,31,34)/t19-,26+/m1/s1.
What are the key properties of N-[(1S)-1-[5-chloro-2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]phenyl]-2-methylpropyl]-2-(methylamino)acetamide?
N-[(1S)-1-[5-chloro-2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]phenyl]-2-methylpropyl]-2-(methylamino)acetamide has a molecular weight of 519.52 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-chloro-2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]phenyl]-2-methylpropyl]-2-(methylamino)acetamide is sourced from PubChem (CID 44577062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).