2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one

C23H31N3O — CID 72975484

IUPAC2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one
SMILESNC(CCN(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C23H31N3O/c24-22(23(27)26-15-8-3-9-16-26)14-17-25(18-20-10-4-1-5-11-20)19-21-12-6-2-7-13-21/h1-2,4-7,10-13,22H,3,8-9,14-19,24H2
InChIKeyTZEHYYIAYWKDLU-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.42
Rot. Bonds8

About 2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one

2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one (PubChem CID 72975484) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one
PubChem CID72975484
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one
SMILESNC(CCN(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C23H31N3O/c24-22(23(27)26-15-8-3-9-16-26)14-17-25(18-20-10-4-1-5-11-20)19-21-12-6-2-7-13-21/h1-2,4-7,10-13,22H,3,8-9,14-19,24H2
InChIKeyTZEHYYIAYWKDLU-UHFFFAOYSA-N
XLogP3.42
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78786454
1-(azepan-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107019625
1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-4-carboxylic acid
CID 104984119
2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one
CID 114925089
2-[3-aminopropyl(benzyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 107367919
2,4-diamino-1-piperidin-1-ylbutan-1-one
CID 24906298
2-amino-3-[4-[[methyl(propyl)amino]methyl]phenyl]-1-pyrrolidin-1-ylpropan-1-one
CID 21070228
(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 119842941
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
2-amino-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 57096305
(2S)-2-amino-1-(3,3-dimethylpiperidin-1-yl)-4-phenylbutan-1-one
CID 104984439
(2R)-2-amino-1-(1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 78985520

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one (CID 72975484) is 2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one is NC(CCN(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCCCC1.
What is the InChIKey of 2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one?
The InChIKey is TZEHYYIAYWKDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c24-22(23(27)26-15-8-3-9-16-26)14-17-25(18-20-10-4-1-5-11-20)19-21-12-6-2-7-13-21/h1-2,4-7,10-13,22H,3,8-9,14-19,24H2.
What are the key properties of 2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one?
2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one has a molecular weight of 365.52 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 72975484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).