2-amino-1-(3-benzylpiperidin-1-yl)-3-methoxypropan-1-one

C16H24N2O2 — CID 120989216

IUPAC2-amino-1-(3-benzylpiperidin-1-yl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)N1CCCC(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-20-12-15(17)16(19)18-9-5-8-14(11-18)10-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12,17H2,1H3
InChIKeyCDDCHJAMCGYGJT-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.44
Rot. Bonds5

About 2-amino-1-(3-benzylpiperidin-1-yl)-3-methoxypropan-1-one

2-amino-1-(3-benzylpiperidin-1-yl)-3-methoxypropan-1-one (PubChem CID 120989216) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-1-(3-benzylpiperidin-1-yl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-benzylpiperidin-1-yl)-3-methoxypropan-1-one
PubChem CID120989216
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-1-(3-benzylpiperidin-1-yl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)N1CCCC(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-20-12-15(17)16(19)18-9-5-8-14(11-18)10-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12,17H2,1H3
InChIKeyCDDCHJAMCGYGJT-UHFFFAOYSA-N
XLogP1.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methoxy-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 120991036
(2S)-2-amino-1-(3-ethylpiperidin-1-yl)-4-phenylbutan-1-one
CID 104983954
2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120984914
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
(2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one
CID 124590633
2-amino-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride
CID 120991565
1-(2-amino-3-methoxypropanoyl)piperidine-3-carboxamide
CID 81081318
(2S)-2-amino-3-(4-hydroxyphenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106586844
3-amino-1-(3-benzylpyrrolidin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 119725030
1-[[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 120988664
2-amino-3-methoxy-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 120984965

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-benzylpiperidin-1-yl)-3-methoxypropan-1-one?
The IUPAC name of 2-amino-1-(3-benzylpiperidin-1-yl)-3-methoxypropan-1-one (CID 120989216) is 2-amino-1-(3-benzylpiperidin-1-yl)-3-methoxypropan-1-one.
What is the SMILES notation for 2-amino-1-(3-benzylpiperidin-1-yl)-3-methoxypropan-1-one?
The canonical SMILES for 2-amino-1-(3-benzylpiperidin-1-yl)-3-methoxypropan-1-one is COCC(N)C(=O)N1CCCC(Cc2ccccc2)C1.
What is the InChIKey of 2-amino-1-(3-benzylpiperidin-1-yl)-3-methoxypropan-1-one?
The InChIKey is CDDCHJAMCGYGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-12-15(17)16(19)18-9-5-8-14(11-18)10-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12,17H2,1H3.
What are the key properties of 2-amino-1-(3-benzylpiperidin-1-yl)-3-methoxypropan-1-one?
2-amino-1-(3-benzylpiperidin-1-yl)-3-methoxypropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-benzylpiperidin-1-yl)-3-methoxypropan-1-one is sourced from PubChem (CID 120989216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).