2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide

C16H25N3O — CID 61211452

IUPAC2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide
SMILESCC(C)(NC1CCN(Cc2ccccc2)CC1)C(N)=O
InChIInChI=1S/C16H25N3O/c1-16(2,15(17)20)18-14-8-10-19(11-9-14)12-13-6-4-3-5-7-13/h3-7,14,18H,8-12H2,1-2H3,(H2,17,20)
InChIKeyGRWMOKMKHHAFLQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.50
Rot. Bonds5

About 2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide

2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide (PubChem CID 61211452) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide
PubChem CID61211452
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide
SMILESCC(C)(NC1CCN(Cc2ccccc2)CC1)C(N)=O
InChIInChI=1S/C16H25N3O/c1-16(2,15(17)20)18-14-8-10-19(11-9-14)12-13-6-4-3-5-7-13/h3-7,14,18H,8-12H2,1-2H3,(H2,17,20)
InChIKeyGRWMOKMKHHAFLQ-UHFFFAOYSA-N
XLogP1.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-tert-butylpiperidin-4-amine;1-benzylpiperidin-4-one;methane;2-methylpropan-2-amine
CID 158278488
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
[(1-benzylpiperidin-4-yl)amino]carbamic acid
CID 68925695
N-(1-amino-1-oxo-2-phenylpropan-2-yl)-1-benzylpiperidine-4-carboxamide
CID 136580049
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanamide
CID 61218639
methyl 2-(1-benzylpiperidin-4-yl)oxy-2-methylpropanoate
CID 155390510
tert-butyl (2S)-2-[(1-benzylpiperidin-4-yl)amino]-3-phenylpropanoate
CID 14997630
2-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpropan-1-ol
CID 45283387
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide (CID 61211452) is 2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide is CC(C)(NC1CCN(Cc2ccccc2)CC1)C(N)=O.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide?
The InChIKey is GRWMOKMKHHAFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2,15(17)20)18-14-8-10-19(11-9-14)12-13-6-4-3-5-7-13/h3-7,14,18H,8-12H2,1-2H3,(H2,17,20).
What are the key properties of 2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide?
2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide has a molecular weight of 275.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide is sourced from PubChem (CID 61211452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).