N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide

C23H31N3O — CID 37295921

IUPACN-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide
SMILESCN1CCN(CCCNC(=O)CCc2ccccc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C23H31N3O/c1-25-17-18-26(22(19-25)21-11-6-3-7-12-21)16-8-15-24-23(27)14-13-20-9-4-2-5-10-20/h2-7,9-12,22H,8,13-19H2,1H3,(H,24,27)/t22-/m1/s1
InChIKeyWZQRUYRWTDNGAT-JOCHJYFZSA-N
MW365.52 g/mol
LogP3.11
Rot. Bonds8

About N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide

N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide (PubChem CID 37295921) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide
PubChem CID37295921
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide
SMILESCN1CCN(CCCNC(=O)CCc2ccccc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C23H31N3O/c1-25-17-18-26(22(19-25)21-11-6-3-7-12-21)16-8-15-24-23(27)14-13-20-9-4-2-5-10-20/h2-7,9-12,22H,8,13-19H2,1H3,(H,24,27)/t22-/m1/s1
InChIKeyWZQRUYRWTDNGAT-JOCHJYFZSA-N
XLogP3.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide
CID 55620679
2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide
CID 37295525
N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 55939655
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide
CID 55620817
methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
CID 43377701
(2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide
CID 124813932
2-(2-ethylbenzimidazol-1-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide
CID 55620613
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
N-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801947
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide
CID 60509713
N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 166205908

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide?
The IUPAC name of N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide (CID 37295921) is N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide is CN1CCN(CCCNC(=O)CCc2ccccc2)[C@@H](c2ccccc2)C1.
What is the InChIKey of N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide?
The InChIKey is WZQRUYRWTDNGAT-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H31N3O/c1-25-17-18-26(22(19-25)21-11-6-3-7-12-21)16-8-15-24-23(27)14-13-20-9-4-2-5-10-20/h2-7,9-12,22H,8,13-19H2,1H3,(H,24,27)/t22-/m1/s1.
What are the key properties of N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide?
N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide has a molecular weight of 365.52 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide is sourced from PubChem (CID 37295921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).