2-amino-3-(4-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide

C14H22N4O2 — CID 114350675

IUPAC2-amino-3-(4-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(NC(=O)C(N)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C14H22N4O2/c1-17-6-8-18(9-7-17)16-14(20)13(15)10-11-2-4-12(19)5-3-11/h2-5,13,19H,6-10,15H2,1H3,(H,16,20)
InChIKeyPZGCSXSVEPQNAF-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.46
Rot. Bonds4

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

2-amino-3-(4-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide (PubChem CID 114350675) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide
PubChem CID114350675
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-amino-3-(4-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(NC(=O)C(N)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C14H22N4O2/c1-17-6-8-18(9-7-17)16-14(20)13(15)10-11-2-4-12(19)5-3-11/h2-5,13,19H,6-10,15H2,1H3,(H,16,20)
InChIKeyPZGCSXSVEPQNAF-UHFFFAOYSA-N
XLogP-0.46
TPSA81.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide
CID 83015503
(2S)-2-amino-3-(4-hydroxyphenyl)-N-piperidin-1-ylpropanamide
CID 83021846
2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 76893768
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465095
2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 76893887
2-amino-3-(4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)propanamide
CID 76905886
2-amino-N-(4-methylpiperazin-1-yl)butanediamide
CID 83015245
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide
CID 104905050
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)propanamide
CID 106255831
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrol-1-ylethyl)propanamide
CID 106391024
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 61156101

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide (CID 114350675) is 2-amino-3-(4-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide is CN1CCN(NC(=O)C(N)Cc2ccc(O)cc2)CC1.
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is PZGCSXSVEPQNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17-6-8-18(9-7-17)16-14(20)13(15)10-11-2-4-12(19)5-3-11/h2-5,13,19H,6-10,15H2,1H3,(H,16,20).
What are the key properties of 2-amino-3-(4-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide?
2-amino-3-(4-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 278.36 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 114350675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).