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

C17H26N4O2 — CID 119849524

IUPAC2-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-phenylpropanamide
SMILESCN1CCN(C(=O)CCNC(=O)C(N)Cc2ccccc2)CC1
InChIInChI=1S/C17H26N4O2/c1-20-9-11-21(12-10-20)16(22)7-8-19-17(23)15(18)13-14-5-3-2-4-6-14/h2-6,15H,7-13,18H2,1H3,(H,19,23)
InChIKeyRUCQHWIPAKQXLV-UHFFFAOYSA-N
MW318.42 g/mol
LogP-0.16
Rot. Bonds6

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

2-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-phenylpropanamide (PubChem CID 119849524) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-phenylpropanamide
PubChem CID119849524
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-phenylpropanamide
SMILESCN1CCN(C(=O)CCNC(=O)C(N)Cc2ccccc2)CC1
InChIInChI=1S/C17H26N4O2/c1-20-9-11-21(12-10-20)16(22)7-8-19-17(23)15(18)13-14-5-3-2-4-6-14/h2-6,15H,7-13,18H2,1H3,(H,19,23)
InChIKeyRUCQHWIPAKQXLV-UHFFFAOYSA-N
XLogP-0.16
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzylamino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 91054439
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide
CID 83015503
(2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide
CID 78985493
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119281055
2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride
CID 119293831
(2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide
CID 78953659
(2S)-2-amino-3-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]butanamide
CID 119849548
(2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
CID 78984703
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide;trihydrochloride
CID 119903237
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-phenylpropanamide (CID 119849524) is 2-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-phenylpropanamide is CN1CCN(C(=O)CCNC(=O)C(N)Cc2ccccc2)CC1.
What is the InChIKey of 2-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-phenylpropanamide?
The InChIKey is RUCQHWIPAKQXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-20-9-11-21(12-10-20)16(22)7-8-19-17(23)15(18)13-14-5-3-2-4-6-14/h2-6,15H,7-13,18H2,1H3,(H,19,23).
What are the key properties of 2-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-phenylpropanamide?
2-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-phenylpropanamide has a molecular weight of 318.42 g/mol, XLogP of -0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-phenylpropanamide is sourced from PubChem (CID 119849524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).