2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone

C15H22N2O — CID 43584547

IUPAC2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone
SMILESCCC1CCCN(C(=O)C(N)c2ccccc2)C1
InChIInChI=1S/C15H22N2O/c1-2-12-7-6-10-17(11-12)15(18)14(16)13-8-4-3-5-9-13/h3-5,8-9,12,14H,2,6-7,10-11,16H2,1H3
InChIKeyQPVGHMNLLFUVJG-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.34
Rot. Bonds3

About 2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone

2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone (PubChem CID 43584547) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone
PubChem CID43584547
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone
SMILESCCC1CCCN(C(=O)C(N)c2ccccc2)C1
InChIInChI=1S/C15H22N2O/c1-2-12-7-6-10-17(11-12)15(18)14(16)13-8-4-3-5-9-13/h3-5,8-9,12,14H,2,6-7,10-11,16H2,1H3
InChIKeyQPVGHMNLLFUVJG-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone
CID 119337376
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796550
(2R)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796537
N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide
CID 124681917
3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide
CID 119308870
N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288841
(2S)-2-amino-1-(3-ethylpiperidin-1-yl)-4-phenylbutan-1-one
CID 104983954
ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate
CID 76892741
2-amino-2-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone;hydrochloride
CID 122148329
2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119892520
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
2-amino-2-phenyl-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119858252

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone?
The IUPAC name of 2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone (CID 43584547) is 2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone.
What is the SMILES notation for 2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone?
The canonical SMILES for 2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone is CCC1CCCN(C(=O)C(N)c2ccccc2)C1.
What is the InChIKey of 2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone?
The InChIKey is QPVGHMNLLFUVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-12-7-6-10-17(11-12)15(18)14(16)13-8-4-3-5-9-13/h3-5,8-9,12,14H,2,6-7,10-11,16H2,1H3.
What are the key properties of 2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone?
2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone has a molecular weight of 246.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone is sourced from PubChem (CID 43584547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).