3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide

C21H34N2O3 — CID 45196217

IUPAC3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCC1CCN(C(=O)CC2=CCCCC2)CC1)NCC1CCCO1
InChIInChI=1S/C21H34N2O3/c24-20(22-16-19-7-4-14-26-19)9-8-17-10-12-23(13-11-17)21(25)15-18-5-2-1-3-6-18/h5,17,19H,1-4,6-16H2,(H,22,24)
InChIKeyNLPWNAOFWXKEDI-UHFFFAOYSA-N
MW362.51 g/mol
LogP3.19
Rot. Bonds7

About 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide

3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 45196217) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID45196217
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCC1CCN(C(=O)CC2=CCCCC2)CC1)NCC1CCCO1
InChIInChI=1S/C21H34N2O3/c24-20(22-16-19-7-4-14-26-19)9-8-17-10-12-23(13-11-17)21(25)15-18-5-2-1-3-6-18/h5,17,19H,1-4,6-16H2,(H,22,24)
InChIKeyNLPWNAOFWXKEDI-UHFFFAOYSA-N
XLogP3.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 45196217) is 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide is O=C(CCC1CCN(C(=O)CC2=CCCCC2)CC1)NCC1CCCO1.
What is the InChIKey of 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is NLPWNAOFWXKEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c24-20(22-16-19-7-4-14-26-19)9-8-17-10-12-23(13-11-17)21(25)15-18-5-2-1-3-6-18/h5,17,19H,1-4,6-16H2,(H,22,24).
What are the key properties of 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 362.51 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 45196217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).