(2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide

C16H26N4O — CID 78953659

IUPAC(2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide
SMILESCN1CCN(C)C(CNC(=O)[C@H](N)Cc2ccccc2)C1
InChIInChI=1S/C16H26N4O/c1-19-8-9-20(2)14(12-19)11-18-16(21)15(17)10-13-6-4-3-5-7-13/h3-7,14-15H,8-12,17H2,1-2H3,(H,18,21)/t14?,15-/m1/s1
InChIKeyLWLLWZZWHIEUTI-YSSOQSIOSA-N
MW290.41 g/mol
LogP-0.08
Rot. Bonds5

About (2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide

(2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide (PubChem CID 78953659) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide
PubChem CID78953659
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide
SMILESCN1CCN(C)C(CNC(=O)[C@H](N)Cc2ccccc2)C1
InChIInChI=1S/C16H26N4O/c1-19-8-9-20(2)14(12-19)11-18-16(21)15(17)10-13-6-4-3-5-7-13/h3-7,14-15H,8-12,17H2,1-2H3,(H,18,21)/t14?,15-/m1/s1
InChIKeyLWLLWZZWHIEUTI-YSSOQSIOSA-N
XLogP-0.08
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide;trihydrochloride
CID 119903237
2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 103630194
(2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide
CID 103795240
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
2-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-phenylpropanamide
CID 119849524
2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide
CID 83015503
2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866668
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one
CID 103814570
(2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
CID 78984703
1-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(3S)-3-phenylbutyl]urea
CID 95622136

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide (CID 78953659) is (2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide is CN1CCN(C)C(CNC(=O)[C@H](N)Cc2ccccc2)C1.
What is the InChIKey of (2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is LWLLWZZWHIEUTI-YSSOQSIOSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19-8-9-20(2)14(12-19)11-18-16(21)15(17)10-13-6-4-3-5-7-13/h3-7,14-15H,8-12,17H2,1-2H3,(H,18,21)/t14?,15-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide?
(2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 290.41 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 78953659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).