N-[4-hydroxy-3-(2-propylpiperidine-1-carbonyl)phenyl]prop-2-enamide

C18H24N2O3 — CID 166408693

IUPACN-[4-hydroxy-3-(2-propylpiperidine-1-carbonyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(O)c(C(=O)N2CCCCC2CCC)c1
InChIInChI=1S/C18H24N2O3/c1-3-7-14-8-5-6-11-20(14)18(23)15-12-13(9-10-16(15)21)19-17(22)4-2/h4,9-10,12,14,21H,2-3,5-8,11H2,1H3,(H,19,22)
InChIKeyYTEPYAFHTYQKTD-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.31
Rot. Bonds5

About N-[4-hydroxy-3-(2-propylpiperidine-1-carbonyl)phenyl]prop-2-enamide

N-[4-hydroxy-3-(2-propylpiperidine-1-carbonyl)phenyl]prop-2-enamide (PubChem CID 166408693) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[4-hydroxy-3-(2-propylpiperidine-1-carbonyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-(2-propylpiperidine-1-carbonyl)phenyl]prop-2-enamide
PubChem CID166408693
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[4-hydroxy-3-(2-propylpiperidine-1-carbonyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(O)c(C(=O)N2CCCCC2CCC)c1
InChIInChI=1S/C18H24N2O3/c1-3-7-14-8-5-6-11-20(14)18(23)15-12-13(9-10-16(15)21)19-17(22)4-2/h4,9-10,12,14,21H,2-3,5-8,11H2,1H3,(H,19,22)
InChIKeyYTEPYAFHTYQKTD-UHFFFAOYSA-N
XLogP3.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-hydroxy-3-(2-propylpiperidine-1-carbonyl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83056508
N-cyclopentyl-N-ethyl-2-hydroxy-5-(prop-2-enoylamino)benzamide
CID 167861171
N-[4-hydroxy-3-[3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 166408692
N-[3-(2-ethylmorpholine-4-carbonyl)-4-hydroxyphenyl]prop-2-enamide
CID 166408627
(2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 107689544
(2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107722292
[2-(2-bromoethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 80665148
[2-(2-chloroethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 55188177
(3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83055938
[3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 105071000
N-[4-hydroxy-3-[3-(5-methylfuran-2-yl)thiomorpholine-4-carbonyl]phenyl]prop-2-enamide
CID 167808884
N-[4-hydroxy-3-(1-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl)phenyl]prop-2-enamide
CID 166412636

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-(2-propylpiperidine-1-carbonyl)phenyl]prop-2-enamide?
The IUPAC name of N-[4-hydroxy-3-(2-propylpiperidine-1-carbonyl)phenyl]prop-2-enamide (CID 166408693) is N-[4-hydroxy-3-(2-propylpiperidine-1-carbonyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-hydroxy-3-(2-propylpiperidine-1-carbonyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[4-hydroxy-3-(2-propylpiperidine-1-carbonyl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(O)c(C(=O)N2CCCCC2CCC)c1.
What is the InChIKey of N-[4-hydroxy-3-(2-propylpiperidine-1-carbonyl)phenyl]prop-2-enamide?
The InChIKey is YTEPYAFHTYQKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-7-14-8-5-6-11-20(14)18(23)15-12-13(9-10-16(15)21)19-17(22)4-2/h4,9-10,12,14,21H,2-3,5-8,11H2,1H3,(H,19,22).
What are the key properties of N-[4-hydroxy-3-(2-propylpiperidine-1-carbonyl)phenyl]prop-2-enamide?
N-[4-hydroxy-3-(2-propylpiperidine-1-carbonyl)phenyl]prop-2-enamide has a molecular weight of 316.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-(2-propylpiperidine-1-carbonyl)phenyl]prop-2-enamide is sourced from PubChem (CID 166408693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).