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

C16H25N3O — CID 115748935

IUPAC3-amino-N-(1,3-dimethylpiperidin-4-yl)-3-phenylpropanamide
SMILESCC1CN(C)CCC1NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C16H25N3O/c1-12-11-19(2)9-8-15(12)18-16(20)10-14(17)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,17H2,1-2H3,(H,18,20)
InChIKeyRXHHPLWCZBBPEM-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.53
Rot. Bonds4

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

3-amino-N-(1,3-dimethylpiperidin-4-yl)-3-phenylpropanamide (PubChem CID 115748935) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-amino-N-(1,3-dimethylpiperidin-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(1,3-dimethylpiperidin-4-yl)-3-phenylpropanamide
PubChem CID115748935
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-amino-N-(1,3-dimethylpiperidin-4-yl)-3-phenylpropanamide
SMILESCC1CN(C)CCC1NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C16H25N3O/c1-12-11-19(2)9-8-15(12)18-16(20)10-14(17)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,17H2,1-2H3,(H,18,20)
InChIKeyRXHHPLWCZBBPEM-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dimethylpiperidin-4-yl)-2-(2-hydroxyphenyl)acetamide
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3-amino-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119953459
3-amino-N-(4-methylpiperidin-3-yl)-3-phenylpropanamide
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4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide
CID 63324217
2-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
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3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide
CID 119953982
3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 43711347
N-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide
CID 107036327
(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 11172331
3-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 43711758
(2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide
CID 103814191
3-amino-3-phenyl-N-(2-phenyloxolan-3-yl)propanamide
CID 119952210

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-dimethylpiperidin-4-yl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(1,3-dimethylpiperidin-4-yl)-3-phenylpropanamide (CID 115748935) is 3-amino-N-(1,3-dimethylpiperidin-4-yl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(1,3-dimethylpiperidin-4-yl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(1,3-dimethylpiperidin-4-yl)-3-phenylpropanamide is CC1CN(C)CCC1NC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-(1,3-dimethylpiperidin-4-yl)-3-phenylpropanamide?
The InChIKey is RXHHPLWCZBBPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-11-19(2)9-8-15(12)18-16(20)10-14(17)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-(1,3-dimethylpiperidin-4-yl)-3-phenylpropanamide?
3-amino-N-(1,3-dimethylpiperidin-4-yl)-3-phenylpropanamide has a molecular weight of 275.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-dimethylpiperidin-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 115748935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).