2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide

C14H22N4O — CID 83015503

IUPAC2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide
SMILESCN1CCN(NC(=O)C(N)Cc2ccccc2)CC1
InChIInChI=1S/C14H22N4O/c1-17-7-9-18(10-8-17)16-14(19)13(15)11-12-5-3-2-4-6-12/h2-6,13H,7-11,15H2,1H3,(H,16,19)
InChIKeyBEXSQOSOPWOQJM-UHFFFAOYSA-N
MW262.36 g/mol
LogP-0.17
Rot. Bonds4

About 2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide

2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide (PubChem CID 83015503) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide
PubChem CID83015503
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide
SMILESCN1CCN(NC(=O)C(N)Cc2ccccc2)CC1
InChIInChI=1S/C14H22N4O/c1-17-7-9-18(10-8-17)16-14(19)13(15)11-12-5-3-2-4-6-12/h2-6,13H,7-11,15H2,1H3,(H,16,19)
InChIKeyBEXSQOSOPWOQJM-UHFFFAOYSA-N
XLogP-0.17
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(4-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide
CID 114350675
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
2-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-phenylpropanamide
CID 119849524
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
2-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenylpropanamide
CID 119902578
2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide
CID 119868626
(2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide
CID 78953659
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
(2S)-2-amino-3-(4-hydroxyphenyl)-N-piperidin-1-ylpropanamide
CID 83021846
2-amino-N-(4-methylpiperazin-1-yl)butanediamide
CID 83015245
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide;trihydrochloride
CID 119903237

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide (CID 83015503) is 2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide is CN1CCN(NC(=O)C(N)Cc2ccccc2)CC1.
What is the InChIKey of 2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide?
The InChIKey is BEXSQOSOPWOQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-7-9-18(10-8-17)16-14(19)13(15)11-12-5-3-2-4-6-12/h2-6,13H,7-11,15H2,1H3,(H,16,19).
What are the key properties of 2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide?
2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide has a molecular weight of 262.36 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide is sourced from PubChem (CID 83015503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).