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

C16H26N2O2 — CID 11912219

IUPAC2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-cyclopropylacetamide
SMILESCC[C@H]1CN(C(=O)C2CC2)CC[C@H]1CC(=O)NC1CC1
InChIInChI=1S/C16H26N2O2/c1-2-11-10-18(16(20)12-3-4-12)8-7-13(11)9-15(19)17-14-5-6-14/h11-14H,2-10H2,1H3,(H,17,19)/t11-,13-/m0/s1
InChIKeyXVMUWCILZTWHCE-AAEUAGOBSA-N
MW278.40 g/mol
LogP1.94
Rot. Bonds5

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

2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-cyclopropylacetamide (PubChem CID 11912219) 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-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-cyclopropylacetamide
PubChem CID11912219
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-cyclopropylacetamide
SMILESCC[C@H]1CN(C(=O)C2CC2)CC[C@H]1CC(=O)NC1CC1
InChIInChI=1S/C16H26N2O2/c1-2-11-10-18(16(20)12-3-4-12)8-7-13(11)9-15(19)17-14-5-6-14/h11-14H,2-10H2,1H3,(H,17,19)/t11-,13-/m0/s1
InChIKeyXVMUWCILZTWHCE-AAEUAGOBSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-cyclopropylacetamide (CID 11912219) is 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-cyclopropylacetamide is CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1CC(=O)NC1CC1.
What is the InChIKey of 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-cyclopropylacetamide?
The InChIKey is XVMUWCILZTWHCE-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-11-10-18(16(20)12-3-4-12)8-7-13(11)9-15(19)17-14-5-6-14/h11-14H,2-10H2,1H3,(H,17,19)/t11-,13-/m0/s1.
What are the key properties of 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-cyclopropylacetamide?
2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-cyclopropylacetamide has a molecular weight of 278.40 g/mol, XLogP of 1.94, 5 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-cyclopropylacetamide is sourced from PubChem (CID 11912219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).