3-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide

C18H28ClN3O — CID 95580603

IUPAC3-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESC[C@H](CNC(=O)CCc1ccc(Cl)cc1)CN1CCN(C)CC1
InChIInChI=1S/C18H28ClN3O/c1-15(14-22-11-9-21(2)10-12-22)13-20-18(23)8-5-16-3-6-17(19)7-4-16/h3-4,6-7,15H,5,8-14H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyIJVWOLGJBWOWPP-OAHLLOKOSA-N
MW337.90 g/mol
LogP2.27
Rot. Bonds7

About 3-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide

3-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide (PubChem CID 95580603) has the molecular formula C18H28ClN3O and a molecular weight of 337.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
PubChem CID95580603
Molecular FormulaC18H28ClN3O
Molecular Weight337.90 g/mol
Exact Mass337.19
IUPAC Name3-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESC[C@H](CNC(=O)CCc1ccc(Cl)cc1)CN1CCN(C)CC1
InChIInChI=1S/C18H28ClN3O/c1-15(14-22-11-9-21(2)10-12-22)13-20-18(23)8-5-16-3-6-17(19)7-4-16/h3-4,6-7,15H,5,8-14H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyIJVWOLGJBWOWPP-OAHLLOKOSA-N
XLogP2.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.90
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95331476
2-(4-chlorophenyl)sulfanyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 86823651
3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide
CID 86869523
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55879122
N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 95338334
3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 100590839
2-[(4-chlorophenyl)methyl]-1-ethyl-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111131239
2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 96570196
N-[4-[[2-methyl-3-(4-methylpiperazin-1-yl)propyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 86823630
3,4-difluoro-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 95976798
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55841098

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide (CID 95580603) is 3-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide is C[C@H](CNC(=O)CCc1ccc(Cl)cc1)CN1CCN(C)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide?
The InChIKey is IJVWOLGJBWOWPP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28ClN3O/c1-15(14-22-11-9-21(2)10-12-22)13-20-18(23)8-5-16-3-6-17(19)7-4-16/h3-4,6-7,15H,5,8-14H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of 3-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide?
3-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide has a molecular weight of 337.90 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 95580603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).