2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide

C16H25N3O2 — CID 115494179

IUPAC2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide
SMILESCC(Cc1ccc(O)cc1)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C16H25N3O2/c1-12(10-13-2-4-15(20)5-3-13)18-14-6-8-19(9-7-14)11-16(17)21/h2-5,12,14,18,20H,6-11H2,1H3,(H2,17,21)
InChIKeyCKVDWIOUJARQDR-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.86
Rot. Bonds6

About 2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide

2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide (PubChem CID 115494179) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide
PubChem CID115494179
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide
SMILESCC(Cc1ccc(O)cc1)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C16H25N3O2/c1-12(10-13-2-4-15(20)5-3-13)18-14-6-8-19(9-7-14)11-16(17)21/h2-5,12,14,18,20H,6-11H2,1H3,(H2,17,21)
InChIKeyCKVDWIOUJARQDR-UHFFFAOYSA-N
XLogP0.86
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Damgo
CID 5462471
N-Acetyltyramine
CID 121051
Cyclo(L-Pro-L-Tyr)
CID 119404
L-Alanyl-L-tyrosine
CID 92946
(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione
CID 11267350
Tyrosyl alanyl-glycyl-phenylalaninamide
CID 5490373
(3S,6S)-3-Benzyl-6-(4-Hydroxy-Benzyl)-Piperazine-2,5-Dione
CID 11438306
Tyr-Ala
CID 5496455
(5S,8S,10Z,13R)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-benzyl-3,6,14-trioxo-1,4,7-triazacyclotetradec-10-ene-8-carboxamide
CID 16116088
H-Tyr-NMe-D-Ala-Phe-Sar-NH2
CID 24853671
(alphaS)-N-(3-((4-((3-Aminopropyl)amino)butyl)amino)propyl)-4-hydroxy-alpha-((1-oxobutyl)amino)benzenepropanamide
CID 159548
enkephalinamide-Leu, Ala(2)-
CID 5486816

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide (CID 115494179) is 2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide is CC(Cc1ccc(O)cc1)NC1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide?
The InChIKey is CKVDWIOUJARQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(10-13-2-4-15(20)5-3-13)18-14-6-8-19(9-7-14)11-16(17)21/h2-5,12,14,18,20H,6-11H2,1H3,(H2,17,21).
What are the key properties of 2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide?
2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide has a molecular weight of 291.39 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 115494179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).