(2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide

C24H33N3O — CID 124813932

IUPAC(2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33N3O/c1-3-22(20-11-6-4-7-12-20)24(28)25-15-10-16-27-18-17-26(2)19-23(27)21-13-8-5-9-14-21/h4-9,11-14,22-23H,3,10,15-19H2,1-2H3,(H,25,28)/t22-,23+/m1/s1
InChIKeyRJRIUJQONRIONQ-PKTZIBPZSA-N
MW379.55 g/mol
LogP3.68
Rot. Bonds8

About (2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide

(2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide (PubChem CID 124813932) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is (2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide
PubChem CID124813932
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name(2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33N3O/c1-3-22(20-11-6-4-7-12-20)24(28)25-15-10-16-27-18-17-26(2)19-23(27)21-13-8-5-9-14-21/h4-9,11-14,22-23H,3,10,15-19H2,1-2H3,(H,25,28)/t22-,23+/m1/s1
InChIKeyRJRIUJQONRIONQ-PKTZIBPZSA-N
XLogP3.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.68
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

N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide
CID 37295921
2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide
CID 37295525
methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
CID 43377701
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide
CID 55938683
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
1-ethyl-3-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-propylguanidine
CID 111226835
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
1-ethyl-3-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111178101
N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 55939655
2-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 55620653
N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 166205908
2-(2-ethylbenzimidazol-1-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide
CID 55620613

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide (CID 124813932) is (2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide is CC[C@@H](C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide?
The InChIKey is RJRIUJQONRIONQ-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H33N3O/c1-3-22(20-11-6-4-7-12-20)24(28)25-15-10-16-27-18-17-26(2)19-23(27)21-13-8-5-9-14-21/h4-9,11-14,22-23H,3,10,15-19H2,1-2H3,(H,25,28)/t22-,23+/m1/s1.
What are the key properties of (2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide?
(2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide has a molecular weight of 379.55 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide is sourced from PubChem (CID 124813932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).