3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C20H32N2O3 — CID 25455864

IUPAC3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESO=C(CCC1CCN(C(=O)C2=CCCCC2)CC1)NC[C@@H]1CCCO1
InChIInChI=1S/C20H32N2O3/c23-19(21-15-18-7-4-14-25-18)9-8-16-10-12-22(13-11-16)20(24)17-5-2-1-3-6-17/h5,16,18H,1-4,6-15H2,(H,21,23)/t18-/m0/s1
InChIKeyBXUAWUYXETUPLF-SFHVURJKSA-N
MW348.49 g/mol
LogP2.80
Rot. Bonds6

About 3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 25455864) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID25455864
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESO=C(CCC1CCN(C(=O)C2=CCCCC2)CC1)NC[C@@H]1CCCO1
InChIInChI=1S/C20H32N2O3/c23-19(21-15-18-7-4-14-25-18)9-8-16-10-12-22(13-11-16)20(24)17-5-2-1-3-6-17/h5,16,18H,1-4,6-15H2,(H,21,23)/t18-/m0/s1
InChIKeyBXUAWUYXETUPLF-SFHVURJKSA-N
XLogP2.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of 3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 25455864) is 3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for 3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is O=C(CCC1CCN(C(=O)C2=CCCCC2)CC1)NC[C@@H]1CCCO1.
What is the InChIKey of 3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is BXUAWUYXETUPLF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H32N2O3/c23-19(21-15-18-7-4-14-25-18)9-8-16-10-12-22(13-11-16)20(24)17-5-2-1-3-6-17/h5,16,18H,1-4,6-15H2,(H,21,23)/t18-/m0/s1.
What are the key properties of 3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 348.49 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 25455864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).