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

C18H28ClN3O — CID 95331476

IUPAC3-(3-chlorophenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESC[C@@H](CNC(=O)CCc1cccc(Cl)c1)CN1CCN(C)CC1
InChIInChI=1S/C18H28ClN3O/c1-15(14-22-10-8-21(2)9-11-22)13-20-18(23)7-6-16-4-3-5-17(19)12-16/h3-5,12,15H,6-11,13-14H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyUVDZYENSZCOHEC-HNNXBMFYSA-N
MW337.90 g/mol
LogP2.27
Rot. Bonds7

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

3-(3-chlorophenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide (PubChem CID 95331476) has the molecular formula C18H28ClN3O and a molecular weight of 337.90 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
PubChem CID95331476
Molecular FormulaC18H28ClN3O
Molecular Weight337.90 g/mol
Exact Mass337.19
IUPAC Name3-(3-chlorophenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESC[C@@H](CNC(=O)CCc1cccc(Cl)c1)CN1CCN(C)CC1
InChIInChI=1S/C18H28ClN3O/c1-15(14-22-10-8-21(2)9-11-22)13-20-18(23)7-6-16-4-3-5-17(19)12-16/h3-5,12,15H,6-11,13-14H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyUVDZYENSZCOHEC-HNNXBMFYSA-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-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95580603
4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 110608445
3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide
CID 86869523
3-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propanamide
CID 129373696
N-[4-[[2-methyl-3-(4-methylpiperazin-1-yl)propyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 86823630
2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 96570196
N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 95338334
3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide
CID 110414094
1-[(3-chlorophenyl)methyl]-3-ethyl-1-methyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine
CID 111305903
1-[(3-cyanophenyl)methyl]-3-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea
CID 96520093
3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 55662231
1-[(3-chlorophenyl)methyl]-4-methylpiperazine;oxalic acid
CID 45156065

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide (CID 95331476) is 3-(3-chlorophenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide is C[C@@H](CNC(=O)CCc1cccc(Cl)c1)CN1CCN(C)CC1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide?
The InChIKey is UVDZYENSZCOHEC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28ClN3O/c1-15(14-22-10-8-21(2)9-11-22)13-20-18(23)7-6-16-4-3-5-17(19)12-16/h3-5,12,15H,6-11,13-14H2,1-2H3,(H,20,23)/t15-/m0/s1.
What are the key properties of 3-(3-chlorophenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide?
3-(3-chlorophenyl)-N-[(2S)-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-(3-chlorophenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 95331476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).