(E)-3-[3-[(4-hydroxypiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid

C15H18N2O4 — CID 115340576

IUPAC(E)-3-[3-[(4-hydroxypiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1cccc(NC(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C15H18N2O4/c18-13-6-8-17(9-7-13)15(21)16-12-3-1-2-11(10-12)4-5-14(19)20/h1-5,10,13,18H,6-9H2,(H,16,21)(H,19,20)/b5-4+
InChIKeyAZWUGLNVOBSTLR-SNAWJCMRSA-N
MW290.32 g/mol
LogP1.77
Rot. Bonds3

About (E)-3-[3-[(4-hydroxypiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid

(E)-3-[3-[(4-hydroxypiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid (PubChem CID 115340576) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (E)-3-[3-[(4-hydroxypiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[3-[(4-hydroxypiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid
PubChem CID115340576
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(E)-3-[3-[(4-hydroxypiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1cccc(NC(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C15H18N2O4/c18-13-6-8-17(9-7-13)15(21)16-12-3-1-2-11(10-12)4-5-14(19)20/h1-5,10,13,18H,6-9H2,(H,16,21)(H,19,20)/b5-4+
InChIKeyAZWUGLNVOBSTLR-SNAWJCMRSA-N
XLogP1.77
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[3-(piperazine-1-carbonylamino)phenyl]prop-2-enoic acid
CID 115340753
3-[3-(morpholine-4-carbonylamino)phenyl]prop-2-enoic acid
CID 115277723
3-[3-[(3-methylpiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115277726
(E)-3-[3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]phenyl]prop-2-enoic acid
CID 114411863
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 17476363
3-[3-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]prop-2-enoic acid
CID 76907392
3-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]prop-2-enoic acid
CID 76907058
3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 5112154
(E)-3-[3-(methylcarbamoylamino)phenyl]prop-2-enoic acid
CID 115340518
(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 43415922
N-(3-acetylphenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896288

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[(4-hydroxypiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[3-[(4-hydroxypiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid (CID 115340576) is (E)-3-[3-[(4-hydroxypiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[3-[(4-hydroxypiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[3-[(4-hydroxypiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid is O=C(O)/C=C/c1cccc(NC(=O)N2CCC(O)CC2)c1.
What is the InChIKey of (E)-3-[3-[(4-hydroxypiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid?
The InChIKey is AZWUGLNVOBSTLR-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-13-6-8-17(9-7-13)15(21)16-12-3-1-2-11(10-12)4-5-14(19)20/h1-5,10,13,18H,6-9H2,(H,16,21)(H,19,20)/b5-4+.
What are the key properties of (E)-3-[3-[(4-hydroxypiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid?
(E)-3-[3-[(4-hydroxypiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[(4-hydroxypiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid is sourced from PubChem (CID 115340576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).