(2R)-1-[(3S)-3-aminopiperidin-1-yl]-2-ethoxy-2-phenylethanone

C15H22N2O2 — CID 124593206

IUPAC(2R)-1-[(3S)-3-aminopiperidin-1-yl]-2-ethoxy-2-phenylethanone
SMILESCCO[C@@H](C(=O)N1CCC[C@H](N)C1)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-2-19-14(12-7-4-3-5-8-12)15(18)17-10-6-9-13(16)11-17/h3-5,7-8,13-14H,2,6,9-11,16H2,1H3/t13-,14+/m0/s1
InChIKeyMDKZWCSSLOUHQN-UONOGXRCSA-N
MW262.35 g/mol
LogP1.71
Rot. Bonds4

About (2R)-1-[(3S)-3-aminopiperidin-1-yl]-2-ethoxy-2-phenylethanone

(2R)-1-[(3S)-3-aminopiperidin-1-yl]-2-ethoxy-2-phenylethanone (PubChem CID 124593206) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2R)-1-[(3S)-3-aminopiperidin-1-yl]-2-ethoxy-2-phenylethanone.

Molecular Properties

Compound Name(2R)-1-[(3S)-3-aminopiperidin-1-yl]-2-ethoxy-2-phenylethanone
PubChem CID124593206
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2R)-1-[(3S)-3-aminopiperidin-1-yl]-2-ethoxy-2-phenylethanone
SMILESCCO[C@@H](C(=O)N1CCC[C@H](N)C1)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-2-19-14(12-7-4-3-5-8-12)15(18)17-10-6-9-13(16)11-17/h3-5,7-8,13-14H,2,6,9-11,16H2,1H3/t13-,14+/m0/s1
InChIKeyMDKZWCSSLOUHQN-UONOGXRCSA-N
XLogP1.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride
CID 119413072
2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119644444
(2S,3S)-1-(2-ethoxy-2-phenylacetyl)-2-methylpiperidine-3-carboxylic acid
CID 122114524
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride
CID 119621849
2-[4-[(2R)-2-ethoxy-2-phenylacetyl]-1,4-diazepan-1-yl]acetamide
CID 95584791
2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone
CID 43584547
(2S)-1-[(3S)-3-aminopiperidin-1-yl]-2-methyl-3-phenylsulfanylpropan-1-one
CID 124594002
1-(3-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119380726
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-ethoxy-2-phenylethanone;hydrochloride
CID 120657713
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
(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 120684525

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3S)-3-aminopiperidin-1-yl]-2-ethoxy-2-phenylethanone?
The IUPAC name of (2R)-1-[(3S)-3-aminopiperidin-1-yl]-2-ethoxy-2-phenylethanone (CID 124593206) is (2R)-1-[(3S)-3-aminopiperidin-1-yl]-2-ethoxy-2-phenylethanone.
What is the SMILES notation for (2R)-1-[(3S)-3-aminopiperidin-1-yl]-2-ethoxy-2-phenylethanone?
The canonical SMILES for (2R)-1-[(3S)-3-aminopiperidin-1-yl]-2-ethoxy-2-phenylethanone is CCO[C@@H](C(=O)N1CCC[C@H](N)C1)c1ccccc1.
What is the InChIKey of (2R)-1-[(3S)-3-aminopiperidin-1-yl]-2-ethoxy-2-phenylethanone?
The InChIKey is MDKZWCSSLOUHQN-UONOGXRCSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-19-14(12-7-4-3-5-8-12)15(18)17-10-6-9-13(16)11-17/h3-5,7-8,13-14H,2,6,9-11,16H2,1H3/t13-,14+/m0/s1.
What are the key properties of (2R)-1-[(3S)-3-aminopiperidin-1-yl]-2-ethoxy-2-phenylethanone?
(2R)-1-[(3S)-3-aminopiperidin-1-yl]-2-ethoxy-2-phenylethanone has a molecular weight of 262.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3S)-3-aminopiperidin-1-yl]-2-ethoxy-2-phenylethanone is sourced from PubChem (CID 124593206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).