1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide

C15H21N3O3 — CID 104904525

IUPAC1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)[C@H](N)Cc2ccc(O)cc2)C1
InChIInChI=1S/C15H21N3O3/c16-13(8-10-3-5-12(19)6-4-10)15(21)18-7-1-2-11(9-18)14(17)20/h3-6,11,13,19H,1-2,7-9,16H2,(H2,17,20)/t11?,13-/m1/s1
InChIKeyPWPYVOMNRUELNY-GLGOKHISSA-N
MW291.35 g/mol
LogP-0.01
Rot. Bonds4

About 1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide

1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide (PubChem CID 104904525) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide
PubChem CID104904525
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)[C@H](N)Cc2ccc(O)cc2)C1
InChIInChI=1S/C15H21N3O3/c16-13(8-10-3-5-12(19)6-4-10)15(21)18-7-1-2-11(9-18)14(17)20/h3-6,11,13,19H,1-2,7-9,16H2,(H2,17,20)/t11?,13-/m1/s1
InChIKeyPWPYVOMNRUELNY-GLGOKHISSA-N
XLogP-0.01
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81121192
(3R)-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 103870220
2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 76891869
(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148035
(2S)-2-amino-3-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107222863
1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 104905127
(2S)-2-amino-3-(4-hydroxyphenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106586844
(2S)-2-amino-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 107220612
(2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104905212
(2S)-2-amino-3-(4-hydroxyphenyl)-1-(3-methoxypyrrolidin-1-yl)propan-1-one
CID 103533022
2-amino-3-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 76891872
(2S)-2-amino-1-(3,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148000

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide (CID 104904525) is 1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)[C@H](N)Cc2ccc(O)cc2)C1.
What is the InChIKey of 1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide?
The InChIKey is PWPYVOMNRUELNY-GLGOKHISSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-13(8-10-3-5-12(19)6-4-10)15(21)18-7-1-2-11(9-18)14(17)20/h3-6,11,13,19H,1-2,7-9,16H2,(H2,17,20)/t11?,13-/m1/s1.
What are the key properties of 1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide?
1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 104904525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).