3-ethoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one

C14H28N2O2 — CID 63240826

IUPAC3-ethoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
SMILESCCOCCC(=O)N1CCCC(CNC(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-4-18-9-7-14(17)16-8-5-6-13(11-16)10-15-12(2)3/h12-13,15H,4-11H2,1-3H3
InChIKeyOTVZGGOCRIMULQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds7

About 3-ethoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one

3-ethoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one (PubChem CID 63240826) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-ethoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-ethoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
PubChem CID63240826
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-ethoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
SMILESCCOCCC(=O)N1CCCC(CNC(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-4-18-9-7-14(17)16-8-5-6-13(11-16)10-15-12(2)3/h12-13,15H,4-11H2,1-3H3
InChIKeyOTVZGGOCRIMULQ-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethoxypropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 55091158
1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241729
2-cyclopentyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241290
2-cyclohexyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241326
methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 63241337
1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103805704
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241777
1-[(3R)-3-aminopiperidin-1-yl]-4-ethoxybutan-1-one
CID 102978557
3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241645
3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid
CID 81047214
2,2-dimethyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241776
3-methoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119395545

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-ethoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one (CID 63240826) is 3-ethoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-ethoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-ethoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one is CCOCCC(=O)N1CCCC(CNC(C)C)C1.
What is the InChIKey of 3-ethoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is OTVZGGOCRIMULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-18-9-7-14(17)16-8-5-6-13(11-16)10-15-12(2)3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 3-ethoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one?
3-ethoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 256.39 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 63240826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).