N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide

C20H28N2O2 — CID 111331630

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C20H28N2O2/c23-19-11-14-22(15-12-19)18-8-6-17(7-9-18)20(24)21-13-10-16-4-2-1-3-5-16/h4,6-9,19,23H,1-3,5,10-15H2,(H,21,24)
InChIKeyFSNMTNPJWHANPQ-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.27
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide

N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide (PubChem CID 111331630) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide
PubChem CID111331630
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C20H28N2O2/c23-19-11-14-22(15-12-19)18-8-6-17(7-9-18)20(24)21-13-10-16-4-2-1-3-5-16/h4,6-9,19,23H,1-3,5,10-15H2,(H,21,24)
InChIKeyFSNMTNPJWHANPQ-UHFFFAOYSA-N
XLogP3.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide
CID 124845202
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044848
N-[2-(cyclohexen-1-yl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 20937865
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 26402975
N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108984207
N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18108486
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109251049
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113104871
N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide
CID 114153830

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide (CID 111331630) is N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide is O=C(NCCC1=CCCCC1)c1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The InChIKey is FSNMTNPJWHANPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-19-11-14-22(15-12-19)18-8-6-17(7-9-18)20(24)21-13-10-16-4-2-1-3-5-16/h4,6-9,19,23H,1-3,5,10-15H2,(H,21,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide has a molecular weight of 328.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide is sourced from PubChem (CID 111331630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).