2-(4-chlorophenyl)-3-(4-hydroxypiperidin-1-yl)-N-methylidenepropanamide

C15H19ClN2O2 — CID 143607109

IUPAC2-(4-chlorophenyl)-3-(4-hydroxypiperidin-1-yl)-N-methylidenepropanamide
SMILESC=NC(=O)C(CN1CCC(O)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c1-17-15(20)14(11-2-4-12(16)5-3-11)10-18-8-6-13(19)7-9-18/h2-5,13-14,19H,1,6-10H2
InChIKeyUZUVOHJXLWYLEF-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.11
Rot. Bonds4

About 2-(4-chlorophenyl)-3-(4-hydroxypiperidin-1-yl)-N-methylidenepropanamide

2-(4-chlorophenyl)-3-(4-hydroxypiperidin-1-yl)-N-methylidenepropanamide (PubChem CID 143607109) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-hydroxypiperidin-1-yl)-N-methylidenepropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-hydroxypiperidin-1-yl)-N-methylidenepropanamide
PubChem CID143607109
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-(4-chlorophenyl)-3-(4-hydroxypiperidin-1-yl)-N-methylidenepropanamide
SMILESC=NC(=O)C(CN1CCC(O)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c1-17-15(20)14(11-2-4-12(16)5-3-11)10-18-8-6-13(19)7-9-18/h2-5,13-14,19H,1,6-10H2
InChIKeyUZUVOHJXLWYLEF-UHFFFAOYSA-N
XLogP2.11
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol
CID 58458342
1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol
CID 58458138
2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanoic acid
CID 70677822
(2R)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanamide
CID 67518927
(2R)-2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one
CID 59670677
2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one
CID 71133249
(2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one
CID 59670872
(2R)-2-(4-chloro-3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 67518942
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
(3S)-3-(4-chlorophenyl)-4-(4-ethylpiperazin-1-yl)butan-2-one
CID 71123868
2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpentan-3-one
CID 59670883
3-(4-chlorophenyl)-4-(4,4-difluoropiperidin-1-yl)butan-2-one;ethane
CID 143606919

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-hydroxypiperidin-1-yl)-N-methylidenepropanamide?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-hydroxypiperidin-1-yl)-N-methylidenepropanamide (CID 143607109) is 2-(4-chlorophenyl)-3-(4-hydroxypiperidin-1-yl)-N-methylidenepropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-hydroxypiperidin-1-yl)-N-methylidenepropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-hydroxypiperidin-1-yl)-N-methylidenepropanamide is C=NC(=O)C(CN1CCC(O)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-hydroxypiperidin-1-yl)-N-methylidenepropanamide?
The InChIKey is UZUVOHJXLWYLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-17-15(20)14(11-2-4-12(16)5-3-11)10-18-8-6-13(19)7-9-18/h2-5,13-14,19H,1,6-10H2.
What are the key properties of 2-(4-chlorophenyl)-3-(4-hydroxypiperidin-1-yl)-N-methylidenepropanamide?
2-(4-chlorophenyl)-3-(4-hydroxypiperidin-1-yl)-N-methylidenepropanamide has a molecular weight of 294.78 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-hydroxypiperidin-1-yl)-N-methylidenepropanamide is sourced from PubChem (CID 143607109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).