N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-3-(3-methyl-2-oxobutyl)benzamide

C28H39N3O4 — CID 176663308

IUPACN-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-3-(3-methyl-2-oxobutyl)benzamide
SMILESCOc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc(C)c(CC(=O)C(C)C)c2)CC1
InChIInChI=1S/C28H39N3O4/c1-20(2)26(33)18-23-17-22(10-9-21(23)3)28(34)29-12-11-24(32)19-30-13-15-31(16-14-30)25-7-5-6-8-27(25)35-4/h5-10,17,20,24,32H,11-16,18-19H2,1-4H3,(H,29,34)
InChIKeyVOQRJIHSUWXESU-UHFFFAOYSA-N
MW481.64 g/mol
LogP3.07
Rot. Bonds11

About N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-3-(3-methyl-2-oxobutyl)benzamide

N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-3-(3-methyl-2-oxobutyl)benzamide (PubChem CID 176663308) has the molecular formula C28H39N3O4 and a molecular weight of 481.64 g/mol. Its IUPAC name is N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-3-(3-methyl-2-oxobutyl)benzamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-3-(3-methyl-2-oxobutyl)benzamide
PubChem CID176663308
Molecular FormulaC28H39N3O4
Molecular Weight481.64 g/mol
Exact Mass481.29
IUPAC NameN-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-3-(3-methyl-2-oxobutyl)benzamide
SMILESCOc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc(C)c(CC(=O)C(C)C)c2)CC1
InChIInChI=1S/C28H39N3O4/c1-20(2)26(33)18-23-17-22(10-9-21(23)3)28(34)29-12-11-24(32)19-30-13-15-31(16-14-30)25-7-5-6-8-27(25)35-4/h5-10,17,20,24,32H,11-16,18-19H2,1-4H3,(H,29,34)
InChIKeyVOQRJIHSUWXESU-UHFFFAOYSA-N
XLogP3.07
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.64
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-3-(3-methyl-2-oxobutyl)benzamide 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

ethane;N-[4-[4-(2-fluoro-3-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]-4-methyl-3-(3-methyl-2-oxopentyl)benzamide
CID 176663315
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-7-carboxamide
CID 122183783
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methoxyquinoline-3-carboxamide
CID 122183782
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-iodo-1H-indole-2-carboxamide
CID 42626380
3,4-dichloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 15050919
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide
CID 42266869
3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 10024401
4-(3-ethyl-3-fluoroazetidin-1-yl)-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclohexane-1-carboxamide
CID 176663394
1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol
CID 3750873
1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol
CID 110181232
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 829697
3-[(E)-but-1-enyl]-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-1-carboxamide
CID 176663303

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-3-(3-methyl-2-oxobutyl)benzamide?
The IUPAC name of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-3-(3-methyl-2-oxobutyl)benzamide (CID 176663308) is N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-3-(3-methyl-2-oxobutyl)benzamide.
What is the SMILES notation for N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-3-(3-methyl-2-oxobutyl)benzamide?
The canonical SMILES for N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-3-(3-methyl-2-oxobutyl)benzamide is COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc(C)c(CC(=O)C(C)C)c2)CC1.
What is the InChIKey of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-3-(3-methyl-2-oxobutyl)benzamide?
The InChIKey is VOQRJIHSUWXESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O4/c1-20(2)26(33)18-23-17-22(10-9-21(23)3)28(34)29-12-11-24(32)19-30-13-15-31(16-14-30)25-7-5-6-8-27(25)35-4/h5-10,17,20,24,32H,11-16,18-19H2,1-4H3,(H,29,34).
What are the key properties of N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-3-(3-methyl-2-oxobutyl)benzamide?
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-3-(3-methyl-2-oxobutyl)benzamide has a molecular weight of 481.64 g/mol, XLogP of 3.07, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-3-(3-methyl-2-oxobutyl)benzamide is sourced from PubChem (CID 176663308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).