1-[2-(4-chlorophenyl)ethyl]-5-(4-hydroxypiperidine-1-carbonyl)piperidin-2-one

C19H25ClN2O3 — CID 24817015

IUPAC1-[2-(4-chlorophenyl)ethyl]-5-(4-hydroxypiperidine-1-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCC(O)CC2)CN1CCc1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN2O3/c20-16-4-1-14(2-5-16)7-10-22-13-15(3-6-18(22)24)19(25)21-11-8-17(23)9-12-21/h1-2,4-5,15,17,23H,3,6-13H2
InChIKeyGYJZGHLEBABCBQ-UHFFFAOYSA-N
MW364.87 g/mol
LogP2.10
Rot. Bonds4

About 1-[2-(4-chlorophenyl)ethyl]-5-(4-hydroxypiperidine-1-carbonyl)piperidin-2-one

1-[2-(4-chlorophenyl)ethyl]-5-(4-hydroxypiperidine-1-carbonyl)piperidin-2-one (PubChem CID 24817015) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-5-(4-hydroxypiperidine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-5-(4-hydroxypiperidine-1-carbonyl)piperidin-2-one
PubChem CID24817015
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-5-(4-hydroxypiperidine-1-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCC(O)CC2)CN1CCc1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN2O3/c20-16-4-1-14(2-5-16)7-10-22-13-15(3-6-18(22)24)19(25)21-11-8-17(23)9-12-21/h1-2,4-5,15,17,23H,3,6-13H2
InChIKeyGYJZGHLEBABCBQ-UHFFFAOYSA-N
XLogP2.10
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-Chlorophenyl)ethyl]-5-(1,2-oxazinan-2-ylcarbonyl)-2-piperidinone
CID 24790210
1-(4-Chlorobenzyl)-5-[(4-methyl-1-piperidinyl)carbonyl]-2-piperidinone
CID 24817781
1-(4-Chlorobenzyl)-5-(4-morpholinylcarbonyl)-2-piperidinone
CID 24790326
1-(4-Chlorobenzyl)-5-(1,2-oxazinan-2-ylcarbonyl)-2-piperidinone
CID 24790131
1-[2-(4-Chlorophenyl)ethyl]-5-{[4-(2-methoxyethyl)-1-piperazinyl]carbonyl}-2-piperidinone
CID 24792085
1-[2-(4-Chlorophenyl)ethyl]-5-{[4-(methoxymethyl)-1-piperidinyl]carbonyl}-2-piperidinone
CID 24817006
1-[(4-Chlorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one
CID 24817812
4-[1-[2-(4-Chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 24790115
5-(1-Azepanylcarbonyl)-1-[2-(4-chlorophenyl)ethyl]-2-piperidinone
CID 24790147
1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(3-phenylpropyl)-3-piperidinecarboxamide
CID 24791495
5-[2,2-Bis(prop-2-enyl)pyrrolidine-1-carbonyl]-1-[2-(4-chlorophenyl)ethyl]piperidin-2-one
CID 24794157
1-[2-(4-Chlorophenyl)ethyl]-5-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-2-one
CID 24818992

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-5-(4-hydroxypiperidine-1-carbonyl)piperidin-2-one?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-5-(4-hydroxypiperidine-1-carbonyl)piperidin-2-one (CID 24817015) is 1-[2-(4-chlorophenyl)ethyl]-5-(4-hydroxypiperidine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-5-(4-hydroxypiperidine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-5-(4-hydroxypiperidine-1-carbonyl)piperidin-2-one is O=C1CCC(C(=O)N2CCC(O)CC2)CN1CCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-5-(4-hydroxypiperidine-1-carbonyl)piperidin-2-one?
The InChIKey is GYJZGHLEBABCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c20-16-4-1-14(2-5-16)7-10-22-13-15(3-6-18(22)24)19(25)21-11-8-17(23)9-12-21/h1-2,4-5,15,17,23H,3,6-13H2.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-5-(4-hydroxypiperidine-1-carbonyl)piperidin-2-one?
1-[2-(4-chlorophenyl)ethyl]-5-(4-hydroxypiperidine-1-carbonyl)piperidin-2-one has a molecular weight of 364.87 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-5-(4-hydroxypiperidine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 24817015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).