(2S)-2-amino-3-(4-hydroxyphenyl)-N-piperidin-1-ylpropanamide

C14H21N3O2 — CID 83021846

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-N-piperidin-1-ylpropanamide
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)NN1CCCCC1
InChIInChI=1S/C14H21N3O2/c15-13(10-11-4-6-12(18)7-5-11)14(19)16-17-8-2-1-3-9-17/h4-7,13,18H,1-3,8-10,15H2,(H,16,19)/t13-/m0/s1
InChIKeyIRZWYTHLONXLKR-ZDUSSCGKSA-N
MW263.34 g/mol
LogP0.78
Rot. Bonds4

About (2S)-2-amino-3-(4-hydroxyphenyl)-N-piperidin-1-ylpropanamide

(2S)-2-amino-3-(4-hydroxyphenyl)-N-piperidin-1-ylpropanamide (PubChem CID 83021846) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-N-piperidin-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-piperidin-1-ylpropanamide
PubChem CID83021846
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-piperidin-1-ylpropanamide
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)NN1CCCCC1
InChIInChI=1S/C14H21N3O2/c15-13(10-11-4-6-12(18)7-5-11)14(19)16-17-8-2-1-3-9-17/h4-7,13,18H,1-3,8-10,15H2,(H,16,19)/t13-/m0/s1
InChIKeyIRZWYTHLONXLKR-ZDUSSCGKSA-N
XLogP0.78
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(4-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide
CID 114350675
2-amino-3-(4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)propanamide
CID 76905886
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
2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 76893887
2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide
CID 76892756
(2S)-2-amino-N-cyclohexyl-3-(4-hydroxyphenyl)propanamide
CID 61148836
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]propanamide
CID 131929889
(2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide
CID 104984736
2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide
CID 83015503
(2R)-2-amino-N-piperidin-1-yl-3-sulfanylpropanamide
CID 155192910
2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 76893768

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-piperidin-1-ylpropanamide?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-piperidin-1-ylpropanamide (CID 83021846) is (2S)-2-amino-3-(4-hydroxyphenyl)-N-piperidin-1-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-N-piperidin-1-ylpropanamide?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-N-piperidin-1-ylpropanamide is N[C@@H](Cc1ccc(O)cc1)C(=O)NN1CCCCC1.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-N-piperidin-1-ylpropanamide?
The InChIKey is IRZWYTHLONXLKR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-13(10-11-4-6-12(18)7-5-11)14(19)16-17-8-2-1-3-9-17/h4-7,13,18H,1-3,8-10,15H2,(H,16,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-N-piperidin-1-ylpropanamide?
(2S)-2-amino-3-(4-hydroxyphenyl)-N-piperidin-1-ylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)-N-piperidin-1-ylpropanamide is sourced from PubChem (CID 83021846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).