2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-prop-2-enylacetamide

C16H26N2O2 — CID 11912216

IUPAC2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1CC
InChIInChI=1S/C16H26N2O2/c1-3-8-17-15(19)10-14-7-9-18(11-12(14)4-2)16(20)13-5-6-13/h3,12-14H,1,4-11H2,2H3,(H,17,19)/t12-,14-/m0/s1
InChIKeyZKDRUKOTTLPNGF-JSGCOSHPSA-N
MW278.40 g/mol
LogP1.96
Rot. Bonds6

About 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-prop-2-enylacetamide

2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-prop-2-enylacetamide (PubChem CID 11912216) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-prop-2-enylacetamide
PubChem CID11912216
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1CC
InChIInChI=1S/C16H26N2O2/c1-3-8-17-15(19)10-14-7-9-18(11-12(14)4-2)16(20)13-5-6-13/h3,12-14H,1,4-11H2,2H3,(H,17,19)/t12-,14-/m0/s1
InChIKeyZKDRUKOTTLPNGF-JSGCOSHPSA-N
XLogP1.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
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 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-prop-2-enylacetamide (CID 11912216) is 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-prop-2-enylacetamide is C=CCNC(=O)C[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1CC.
What is the InChIKey of 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-prop-2-enylacetamide?
The InChIKey is ZKDRUKOTTLPNGF-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-8-17-15(19)10-14-7-9-18(11-12(14)4-2)16(20)13-5-6-13/h3,12-14H,1,4-11H2,2H3,(H,17,19)/t12-,14-/m0/s1.
What are the key properties of 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-prop-2-enylacetamide?
2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-prop-2-enylacetamide has a molecular weight of 278.40 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 11912216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).