(3R)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide

C26H32ClN3O2 — CID 41244294

IUPAC(3R)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
SMILESC[C@H](CC(=O)N[C@H]1CCCc2ccccc21)CC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C26H32ClN3O2/c1-19(16-25(31)28-24-11-4-7-20-6-2-3-10-23(20)24)17-26(32)30-14-12-29(13-15-30)22-9-5-8-21(27)18-22/h2-3,5-6,8-10,18-19,24H,4,7,11-17H2,1H3,(H,28,31)/t19-,24+/m1/s1
InChIKeyFGWONUOHGOMBOV-DVECYGJZSA-N
MW454.01 g/mol
LogP4.60
Rot. Bonds6

About (3R)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide

(3R)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide (PubChem CID 41244294) has the molecular formula C26H32ClN3O2 and a molecular weight of 454.01 g/mol. Its IUPAC name is (3R)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide.

Molecular Properties

Compound Name(3R)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
PubChem CID41244294
Molecular FormulaC26H32ClN3O2
Molecular Weight454.01 g/mol
Exact Mass453.22
IUPAC Name(3R)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
SMILESC[C@H](CC(=O)N[C@H]1CCCc2ccccc21)CC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C26H32ClN3O2/c1-19(16-25(31)28-24-11-4-7-20-6-2-3-10-23(20)24)17-26(32)30-14-12-29(13-15-30)22-9-5-8-21(27)18-22/h2-3,5-6,8-10,18-19,24H,4,7,11-17H2,1H3,(H,28,31)/t19-,24+/m1/s1
InChIKeyFGWONUOHGOMBOV-DVECYGJZSA-N
XLogP4.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.01
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide 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

2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25408220
(3S)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid
CID 7317261
4-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 81076134
[(1S)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9331623
2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9251398
(3R)-3-methyl-N-(4-propan-2-ylphenyl)-N'-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanediamide
CID 7321311
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-oxopentanamide
CID 4303198
4-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid
CID 151875161
5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid
CID 55155027
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 8548196
6-[4-(3-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11421045
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 112994499

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide?
The IUPAC name of (3R)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide (CID 41244294) is (3R)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide.
What is the SMILES notation for (3R)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide?
The canonical SMILES for (3R)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide is C[C@H](CC(=O)N[C@H]1CCCc2ccccc21)CC(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (3R)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide?
The InChIKey is FGWONUOHGOMBOV-DVECYGJZSA-N. The full InChI is InChI=1S/C26H32ClN3O2/c1-19(16-25(31)28-24-11-4-7-20-6-2-3-10-23(20)24)17-26(32)30-14-12-29(13-15-30)22-9-5-8-21(27)18-22/h2-3,5-6,8-10,18-19,24H,4,7,11-17H2,1H3,(H,28,31)/t19-,24+/m1/s1.
What are the key properties of (3R)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide?
(3R)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide has a molecular weight of 454.01 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide is sourced from PubChem (CID 41244294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).