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

C15H23N3O2 — CID 76893768

IUPAC2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(NC(=O)C(N)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C15H23N3O2/c1-18-8-6-12(7-9-18)17-15(20)14(16)10-11-2-4-13(19)5-3-11/h2-5,12,14,19H,6-10,16H2,1H3,(H,17,20)
InChIKeyWGBOACGXAKWTCB-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.47
Rot. Bonds4

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

2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 76893768) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID76893768
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(NC(=O)C(N)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C15H23N3O2/c1-18-8-6-12(7-9-18)17-15(20)14(16)10-11-2-4-13(19)5-3-11/h2-5,12,14,19H,6-10,16H2,1H3,(H,17,20)
InChIKeyWGBOACGXAKWTCB-UHFFFAOYSA-N
XLogP0.47
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465095
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
(2S)-2-amino-N-cyclohexyl-3-(4-hydroxyphenyl)propanamide
CID 61148836
2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide
CID 76892756
2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide
CID 119868626
2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide
CID 114350784
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
2-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 110463124
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465060
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)propanamide
CID 106255831
2-amino-3-(4-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide
CID 114350675
(2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 61149291

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide (CID 76893768) is 2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide is CN1CCC(NC(=O)C(N)Cc2ccc(O)cc2)CC1.
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is WGBOACGXAKWTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18-8-6-12(7-9-18)17-15(20)14(16)10-11-2-4-13(19)5-3-11/h2-5,12,14,19H,6-10,16H2,1H3,(H,17,20).
What are the key properties of 2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide?
2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 76893768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).