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

C16H25N3O — CID 120774507

IUPAC3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide
SMILESCC1(C)CN(CCC(=O)Nc2ccccc2)CCC1N
InChIInChI=1S/C16H25N3O/c1-16(2)12-19(10-8-14(16)17)11-9-15(20)18-13-6-4-3-5-7-13/h3-7,14H,8-12,17H2,1-2H3,(H,18,20)
InChIKeyOZJDGDKFMQRSSG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.07
Rot. Bonds4

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

3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide (PubChem CID 120774507) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide
PubChem CID120774507
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide
SMILESCC1(C)CN(CCC(=O)Nc2ccccc2)CCC1N
InChIInChI=1S/C16H25N3O/c1-16(2)12-19(10-8-14(16)17)11-9-15(20)18-13-6-4-3-5-7-13/h3-7,14H,8-12,17H2,1-2H3,(H,18,20)
InChIKeyOZJDGDKFMQRSSG-UHFFFAOYSA-N
XLogP2.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(phenylcarbamoyl)propanamide
CID 120776246
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)propanamide;hydrochloride
CID 120774162
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 120774509
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide
CID 120771754
1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63148218
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopentylpropanamide
CID 120775513
4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 115269781
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-methyl-3-nitrophenyl)propanamide;hydrochloride
CID 120774908
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride
CID 120775821
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-methoxy-4-nitrophenyl)propanamide;hydrochloride
CID 120776285

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide?
The IUPAC name of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide (CID 120774507) is 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide?
The canonical SMILES for 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide is CC1(C)CN(CCC(=O)Nc2ccccc2)CCC1N.
What is the InChIKey of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide?
The InChIKey is OZJDGDKFMQRSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2)12-19(10-8-14(16)17)11-9-15(20)18-13-6-4-3-5-7-13/h3-7,14H,8-12,17H2,1-2H3,(H,18,20).
What are the key properties of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide?
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide has a molecular weight of 275.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide is sourced from PubChem (CID 120774507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).