N-[(3-chlorophenyl)methyl]-3-[(3R)-4-methyl-3-phenylpiperazin-1-yl]propanamide

C21H26ClN3O — CID 124756335

IUPACN-[(3-chlorophenyl)methyl]-3-[(3R)-4-methyl-3-phenylpiperazin-1-yl]propanamide
SMILESCN1CCN(CCC(=O)NCc2cccc(Cl)c2)C[C@H]1c1ccccc1
InChIInChI=1S/C21H26ClN3O/c1-24-12-13-25(16-20(24)18-7-3-2-4-8-18)11-10-21(26)23-15-17-6-5-9-19(22)14-17/h2-9,14,20H,10-13,15-16H2,1H3,(H,23,26)/t20-/m0/s1
InChIKeySLKGEKIECLCDTD-FQEVSTJZSA-N
MW371.91 g/mol
LogP3.34
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-3-[(3R)-4-methyl-3-phenylpiperazin-1-yl]propanamide

N-[(3-chlorophenyl)methyl]-3-[(3R)-4-methyl-3-phenylpiperazin-1-yl]propanamide (PubChem CID 124756335) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-[(3R)-4-methyl-3-phenylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-[(3R)-4-methyl-3-phenylpiperazin-1-yl]propanamide
PubChem CID124756335
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC NameN-[(3-chlorophenyl)methyl]-3-[(3R)-4-methyl-3-phenylpiperazin-1-yl]propanamide
SMILESCN1CCN(CCC(=O)NCc2cccc(Cl)c2)C[C@H]1c1ccccc1
InChIInChI=1S/C21H26ClN3O/c1-24-12-13-25(16-20(24)18-7-3-2-4-8-18)11-10-21(26)23-15-17-6-5-9-19(22)14-17/h2-9,14,20H,10-13,15-16H2,1H3,(H,23,26)/t20-/m0/s1
InChIKeySLKGEKIECLCDTD-FQEVSTJZSA-N
XLogP3.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 8900692
3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide
CID 118607410
N-[(3-chlorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 17400594
1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121740
1-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-N-methylpiperidine-2-carboxamide
CID 91833046
N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 110301174
3-bromo-N-[(3-chlorophenyl)methyl]propanamide
CID 82109966
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 11940864
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
4-chloro-N-[(3-chlorophenyl)methyl]butanamide
CID 17071148
1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 86789165
N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109018781

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-[(3R)-4-methyl-3-phenylpiperazin-1-yl]propanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-[(3R)-4-methyl-3-phenylpiperazin-1-yl]propanamide (CID 124756335) is N-[(3-chlorophenyl)methyl]-3-[(3R)-4-methyl-3-phenylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-[(3R)-4-methyl-3-phenylpiperazin-1-yl]propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-[(3R)-4-methyl-3-phenylpiperazin-1-yl]propanamide is CN1CCN(CCC(=O)NCc2cccc(Cl)c2)C[C@H]1c1ccccc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-[(3R)-4-methyl-3-phenylpiperazin-1-yl]propanamide?
The InChIKey is SLKGEKIECLCDTD-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-24-12-13-25(16-20(24)18-7-3-2-4-8-18)11-10-21(26)23-15-17-6-5-9-19(22)14-17/h2-9,14,20H,10-13,15-16H2,1H3,(H,23,26)/t20-/m0/s1.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-[(3R)-4-methyl-3-phenylpiperazin-1-yl]propanamide?
N-[(3-chlorophenyl)methyl]-3-[(3R)-4-methyl-3-phenylpiperazin-1-yl]propanamide has a molecular weight of 371.91 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-[(3R)-4-methyl-3-phenylpiperazin-1-yl]propanamide is sourced from PubChem (CID 124756335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).