N-benzyl-3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylpropanamide

C24H34N2O2 — CID 24790742

IUPACN-benzyl-3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)CC2=CCCCC2)CC1
InChIInChI=1S/C24H34N2O2/c1-25(19-22-10-6-3-7-11-22)23(27)13-12-20-14-16-26(17-15-20)24(28)18-21-8-4-2-5-9-21/h3,6-8,10-11,20H,2,4-5,9,12-19H2,1H3
InChIKeyWRAIRZAPEMEMGN-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.55
Rot. Bonds7

About N-benzyl-3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylpropanamide

N-benzyl-3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylpropanamide (PubChem CID 24790742) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-benzyl-3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylpropanamide
PubChem CID24790742
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC NameN-benzyl-3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)CC2=CCCCC2)CC1
InChIInChI=1S/C24H34N2O2/c1-25(19-22-10-6-3-7-11-22)23(27)13-12-20-14-16-26(17-15-20)24(28)18-21-8-4-2-5-9-21/h3,6-8,10-11,20H,2,4-5,9,12-19H2,1H3
InChIKeyWRAIRZAPEMEMGN-UHFFFAOYSA-N
XLogP4.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylpropanamide?
The IUPAC name of N-benzyl-3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylpropanamide (CID 24790742) is N-benzyl-3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)CC2=CCCCC2)CC1.
What is the InChIKey of N-benzyl-3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylpropanamide?
The InChIKey is WRAIRZAPEMEMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-25(19-22-10-6-3-7-11-22)23(27)13-12-20-14-16-26(17-15-20)24(28)18-21-8-4-2-5-9-21/h3,6-8,10-11,20H,2,4-5,9,12-19H2,1H3.
What are the key properties of N-benzyl-3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylpropanamide?
N-benzyl-3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylpropanamide has a molecular weight of 382.55 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylpropanamide is sourced from PubChem (CID 24790742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).