N-[2-hydroxy-5-[4-[(1R)-1-hydroxyethyl]piperidine-1-carbonyl]phenyl]prop-2-enamide

C17H22N2O4 — CID 167903423

IUPACN-[2-hydroxy-5-[4-[(1R)-1-hydroxyethyl]piperidine-1-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(C(=O)N2CCC([C@@H](C)O)CC2)ccc1O
InChIInChI=1S/C17H22N2O4/c1-3-16(22)18-14-10-13(4-5-15(14)21)17(23)19-8-6-12(7-9-19)11(2)20/h3-5,10-12,20-21H,1,6-9H2,2H3,(H,18,22)/t11-/m1/s1
InChIKeySBCBUVPREYDOOG-LLVKDONJSA-N
MW318.37 g/mol
LogP1.75
Rot. Bonds4

About N-[2-hydroxy-5-[4-[(1R)-1-hydroxyethyl]piperidine-1-carbonyl]phenyl]prop-2-enamide

N-[2-hydroxy-5-[4-[(1R)-1-hydroxyethyl]piperidine-1-carbonyl]phenyl]prop-2-enamide (PubChem CID 167903423) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[2-hydroxy-5-[4-[(1R)-1-hydroxyethyl]piperidine-1-carbonyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-[4-[(1R)-1-hydroxyethyl]piperidine-1-carbonyl]phenyl]prop-2-enamide
PubChem CID167903423
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-[2-hydroxy-5-[4-[(1R)-1-hydroxyethyl]piperidine-1-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(C(=O)N2CCC([C@@H](C)O)CC2)ccc1O
InChIInChI=1S/C17H22N2O4/c1-3-16(22)18-14-10-13(4-5-15(14)21)17(23)19-8-6-12(7-9-19)11(2)20/h3-5,10-12,20-21H,1,6-9H2,2H3,(H,18,22)/t11-/m1/s1
InChIKeySBCBUVPREYDOOG-LLVKDONJSA-N
XLogP1.75
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-4-nitrophenyl)methanone
CID 107076788
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(8-hydroxynaphthalen-2-yl)methanone
CID 166268507
[4-(1-chloroethyl)piperidin-1-yl]-(3,4-dihydroxyphenyl)methanone
CID 107729122
(4-amino-3-bromophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835796
(4-fluoro-3-sulfanylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 107037232
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 112627475
(2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837602
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 112627387
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 112625849
[4-(1-hydroxyethyl)piperidin-1-yl]-(3-methyl-4-nitrophenyl)methanone
CID 103677808
[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 102978293
[3-(chloromethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835706

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-[4-[(1R)-1-hydroxyethyl]piperidine-1-carbonyl]phenyl]prop-2-enamide?
The IUPAC name of N-[2-hydroxy-5-[4-[(1R)-1-hydroxyethyl]piperidine-1-carbonyl]phenyl]prop-2-enamide (CID 167903423) is N-[2-hydroxy-5-[4-[(1R)-1-hydroxyethyl]piperidine-1-carbonyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-hydroxy-5-[4-[(1R)-1-hydroxyethyl]piperidine-1-carbonyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-hydroxy-5-[4-[(1R)-1-hydroxyethyl]piperidine-1-carbonyl]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(C(=O)N2CCC([C@@H](C)O)CC2)ccc1O.
What is the InChIKey of N-[2-hydroxy-5-[4-[(1R)-1-hydroxyethyl]piperidine-1-carbonyl]phenyl]prop-2-enamide?
The InChIKey is SBCBUVPREYDOOG-LLVKDONJSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-16(22)18-14-10-13(4-5-15(14)21)17(23)19-8-6-12(7-9-19)11(2)20/h3-5,10-12,20-21H,1,6-9H2,2H3,(H,18,22)/t11-/m1/s1.
What are the key properties of N-[2-hydroxy-5-[4-[(1R)-1-hydroxyethyl]piperidine-1-carbonyl]phenyl]prop-2-enamide?
N-[2-hydroxy-5-[4-[(1R)-1-hydroxyethyl]piperidine-1-carbonyl]phenyl]prop-2-enamide has a molecular weight of 318.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-[4-[(1R)-1-hydroxyethyl]piperidine-1-carbonyl]phenyl]prop-2-enamide is sourced from PubChem (CID 167903423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).