3-amino-N-[1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-methylbutanamide

C23H37N3O2 — CID 120500592

IUPAC3-amino-N-[1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-methylbutanamide
SMILESCCC(C)C(NC(=O)C(C)C(C)N)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H37N3O2/c1-5-16(2)21(25-22(27)17(3)18(4)24)23(28)26-13-11-20(12-14-26)15-19-9-7-6-8-10-19/h6-10,16-18,20-21H,5,11-15,24H2,1-4H3,(H,25,27)
InChIKeyGBNPTTGYQVIMMT-UHFFFAOYSA-N
MW387.57 g/mol
LogP2.98
Rot. Bonds8

About 3-amino-N-[1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-methylbutanamide

3-amino-N-[1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-methylbutanamide (PubChem CID 120500592) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is 3-amino-N-[1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-methylbutanamide
PubChem CID120500592
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC Name3-amino-N-[1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-methylbutanamide
SMILESCCC(C)C(NC(=O)C(C)C(C)N)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H37N3O2/c1-5-16(2)21(25-22(27)17(3)18(4)24)23(28)26-13-11-20(12-14-26)15-19-9-7-6-8-10-19/h6-10,16-18,20-21H,5,11-15,24H2,1-4H3,(H,25,27)
InChIKeyGBNPTTGYQVIMMT-UHFFFAOYSA-N
XLogP2.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348071
(2S,3S)-2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099788
N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348046
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119410430
N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]benzamide
CID 119543875
N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide
CID 78780530
1-(4-benzylpiperidin-1-yl)-2-bromobutan-1-one
CID 25219771
N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119645390
N-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 94035900
(2R)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928446
ethyl (2S)-2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoate
CID 97260919

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-methylbutanamide (CID 120500592) is 3-amino-N-[1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-methylbutanamide is CCC(C)C(NC(=O)C(C)C(C)N)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-amino-N-[1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-methylbutanamide?
The InChIKey is GBNPTTGYQVIMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-5-16(2)21(25-22(27)17(3)18(4)24)23(28)26-13-11-20(12-14-26)15-19-9-7-6-8-10-19/h6-10,16-18,20-21H,5,11-15,24H2,1-4H3,(H,25,27).
What are the key properties of 3-amino-N-[1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-methylbutanamide?
3-amino-N-[1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-methylbutanamide has a molecular weight of 387.57 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-methylbutanamide is sourced from PubChem (CID 120500592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).