N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide

C17H26ClN3O — CID 35180484

IUPACN-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide
SMILESCCCC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCN(C)CC1
InChIInChI=1S/C17H26ClN3O/c1-3-4-17(22)19-13-16(14-5-7-15(18)8-6-14)21-11-9-20(2)10-12-21/h5-8,16H,3-4,9-13H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyBWNWPYXSWGPRMD-INIZCTEOSA-N
MW323.87 g/mol
LogP2.54
Rot. Bonds6

About N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide

N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide (PubChem CID 35180484) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide
PubChem CID35180484
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC NameN-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide
SMILESCCCC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCN(C)CC1
InChIInChI=1S/C17H26ClN3O/c1-3-4-17(22)19-13-16(14-5-7-15(18)8-6-14)21-11-9-20(2)10-12-21/h5-8,16H,3-4,9-13H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyBWNWPYXSWGPRMD-INIZCTEOSA-N
XLogP2.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 112504356
N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide
CID 112503144
3-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-1,1-dimethylurea
CID 112507277
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 60597314
2-(4-chlorophenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 30630284
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide
CID 125158955
1-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
CID 112507265
1-(4-chlorophenyl)-3-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea
CID 18578202
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
2-(4-chlorophenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 30604637
N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 112504355
2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 43843608

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide?
The IUPAC name of N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide (CID 35180484) is N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide.
What is the SMILES notation for N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide?
The canonical SMILES for N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide is CCCC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCN(C)CC1.
What is the InChIKey of N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide?
The InChIKey is BWNWPYXSWGPRMD-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26ClN3O/c1-3-4-17(22)19-13-16(14-5-7-15(18)8-6-14)21-11-9-20(2)10-12-21/h5-8,16H,3-4,9-13H2,1-2H3,(H,19,22)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide?
N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide has a molecular weight of 323.87 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide is sourced from PubChem (CID 35180484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).