3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide

C17H27N3O — CID 81494459

IUPAC3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NC1CCN(C)C(C)C1)C(N)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-12-11-15(9-10-20(12)3)19-17(21)13(2)16(18)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11,18H2,1-3H3,(H,19,21)
InChIKeyMCIUEHXHBWPZEZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.92
Rot. Bonds4

About 3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide

3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide (PubChem CID 81494459) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide
PubChem CID81494459
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NC1CCN(C)C(C)C1)C(N)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-12-11-15(9-10-20(12)3)19-17(21)13(2)16(18)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11,18H2,1-3H3,(H,19,21)
InChIKeyMCIUEHXHBWPZEZ-UHFFFAOYSA-N
XLogP1.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methyl-3-phenylpropanamide
CID 119900314
3-amino-2-methyl-N-(3-methylcyclobutyl)-3-phenylpropanamide;hydrochloride
CID 119790806
3-amino-N-(1,2-dimethylpiperidin-4-yl)-N,2-dimethyl-3-phenylpropanamide;dihydrochloride
CID 119893685
3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119854205
3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119755729
3-amino-2-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3-phenylpropanamide
CID 119871542
3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119676490
3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119702922
3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119802914
(2R)-2-[(1,2-dimethylpiperidin-4-yl)amino]-2-phenylethanol
CID 103788675
3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
CID 120503779
(2R)-2-amino-N-(1,2-dimethylpiperidin-4-yl)pentanamide
CID 103814653

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide (CID 81494459) is 3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide is CC(C(=O)NC1CCN(C)C(C)C1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide?
The InChIKey is MCIUEHXHBWPZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-11-15(9-10-20(12)3)19-17(21)13(2)16(18)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11,18H2,1-3H3,(H,19,21).
What are the key properties of 3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide?
3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 81494459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).