2-[cyclopropyl(ethyl)amino]-1-[4-(oxan-4-yl)piperidin-1-yl]ethanone

C17H30N2O2 — CID 86769729

IUPAC2-[cyclopropyl(ethyl)amino]-1-[4-(oxan-4-yl)piperidin-1-yl]ethanone
SMILESCCN(CC(=O)N1CCC(C2CCOCC2)CC1)C1CC1
InChIInChI=1S/C17H30N2O2/c1-2-18(16-3-4-16)13-17(20)19-9-5-14(6-10-19)15-7-11-21-12-8-15/h14-16H,2-13H2,1H3
InChIKeyUSJWZLSRKYPQNU-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.14
Rot. Bonds5

About 2-[cyclopropyl(ethyl)amino]-1-[4-(oxan-4-yl)piperidin-1-yl]ethanone

2-[cyclopropyl(ethyl)amino]-1-[4-(oxan-4-yl)piperidin-1-yl]ethanone (PubChem CID 86769729) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[cyclopropyl(ethyl)amino]-1-[4-(oxan-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(ethyl)amino]-1-[4-(oxan-4-yl)piperidin-1-yl]ethanone
PubChem CID86769729
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-[cyclopropyl(ethyl)amino]-1-[4-(oxan-4-yl)piperidin-1-yl]ethanone
SMILESCCN(CC(=O)N1CCC(C2CCOCC2)CC1)C1CC1
InChIInChI=1S/C17H30N2O2/c1-2-18(16-3-4-16)13-17(20)19-9-5-14(6-10-19)15-7-11-21-12-8-15/h14-16H,2-13H2,1H3
InChIKeyUSJWZLSRKYPQNU-UHFFFAOYSA-N
XLogP2.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethyl)amino]-1-[4-(oxan-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[cyclopropyl(ethyl)amino]-1-[4-(oxan-4-yl)piperidin-1-yl]ethanone (CID 86769729) is 2-[cyclopropyl(ethyl)amino]-1-[4-(oxan-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[cyclopropyl(ethyl)amino]-1-[4-(oxan-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[cyclopropyl(ethyl)amino]-1-[4-(oxan-4-yl)piperidin-1-yl]ethanone is CCN(CC(=O)N1CCC(C2CCOCC2)CC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethyl)amino]-1-[4-(oxan-4-yl)piperidin-1-yl]ethanone?
The InChIKey is USJWZLSRKYPQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-2-18(16-3-4-16)13-17(20)19-9-5-14(6-10-19)15-7-11-21-12-8-15/h14-16H,2-13H2,1H3.
What are the key properties of 2-[cyclopropyl(ethyl)amino]-1-[4-(oxan-4-yl)piperidin-1-yl]ethanone?
2-[cyclopropyl(ethyl)amino]-1-[4-(oxan-4-yl)piperidin-1-yl]ethanone has a molecular weight of 294.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethyl)amino]-1-[4-(oxan-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 86769729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).