2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-piperidin-1-ylpropan-1-one

C17H30N2O2 — CID 65294470

IUPAC2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCCOC1CC(NC(C)C(=O)N2CCCCC2)C12CCC2
InChIInChI=1S/C17H30N2O2/c1-3-21-15-12-14(17(15)8-7-9-17)18-13(2)16(20)19-10-5-4-6-11-19/h13-15,18H,3-12H2,1-2H3
InChIKeyGBYWKIKRPOQALF-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.32
Rot. Bonds5

About 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-piperidin-1-ylpropan-1-one

2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 65294470) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID65294470
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCCOC1CC(NC(C)C(=O)N2CCCCC2)C12CCC2
InChIInChI=1S/C17H30N2O2/c1-3-21-15-12-14(17(15)8-7-9-17)18-13(2)16(20)19-10-5-4-6-11-19/h13-15,18H,3-12H2,1-2H3
InChIKeyGBYWKIKRPOQALF-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-diethyl-3-methoxycyclobutyl)-3-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 126839388
(3S)-4-ethyl-N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]morpholine-3-carboxamide
CID 164636393
3-[(3-Ethoxyspiro[3.3]heptan-1-yl)amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 75516217
(3R)-3-[[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 97795527
(3R)-3-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 97795529
(3S)-3-[[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 124726403
(3S)-3-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 124726404
2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-N-prop-2-ynylacetamide
CID 56794986
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(2-oxo-1,3-diazinan-1-yl)acetamide
CID 72124702
2-acetamido-2-cyclopentyl-N-(3-ethoxyspiro[3.3]heptan-1-yl)acetamide
CID 72126942
N-[2-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-2-oxoethyl]acetamide
CID 124045591
2-[4-methyl-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 170371119

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-piperidin-1-ylpropan-1-one (CID 65294470) is 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-piperidin-1-ylpropan-1-one is CCOC1CC(NC(C)C(=O)N2CCCCC2)C12CCC2.
What is the InChIKey of 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is GBYWKIKRPOQALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-21-15-12-14(17(15)8-7-9-17)18-13(2)16(20)19-10-5-4-6-11-19/h13-15,18H,3-12H2,1-2H3.
What are the key properties of 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-piperidin-1-ylpropan-1-one?
2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 294.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 65294470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).