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

C19H30N2O3 — CID 42214759

IUPAC3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESO=C(CCC1CCN(C(=O)C2=CCCC2)CC1)NC[C@@H]1CCCO1
InChIInChI=1S/C19H30N2O3/c22-18(20-14-17-6-3-13-24-17)8-7-15-9-11-21(12-10-15)19(23)16-4-1-2-5-16/h4,15,17H,1-3,5-14H2,(H,20,22)/t17-/m0/s1
InChIKeyGHBPCPIYKGNUND-KRWDZBQOSA-N
MW334.46 g/mol
LogP2.41
Rot. Bonds6

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

3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 42214759) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID42214759
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESO=C(CCC1CCN(C(=O)C2=CCCC2)CC1)NC[C@@H]1CCCO1
InChIInChI=1S/C19H30N2O3/c22-18(20-14-17-6-3-13-24-17)8-7-15-9-11-21(12-10-15)19(23)16-4-1-2-5-16/h4,15,17H,1-3,5-14H2,(H,20,22)/t17-/m0/s1
InChIKeyGHBPCPIYKGNUND-KRWDZBQOSA-N
XLogP2.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of 3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 42214759) is 3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for 3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is O=C(CCC1CCN(C(=O)C2=CCCC2)CC1)NC[C@@H]1CCCO1.
What is the InChIKey of 3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is GHBPCPIYKGNUND-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N2O3/c22-18(20-14-17-6-3-13-24-17)8-7-15-9-11-21(12-10-15)19(23)16-4-1-2-5-16/h4,15,17H,1-3,5-14H2,(H,20,22)/t17-/m0/s1.
What are the key properties of 3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 334.46 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 42214759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).