3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide

C16H25N3O — CID 62877335

IUPAC3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide
SMILESCN1CCCC(CNC(=O)C(CN)c2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-19-9-5-6-13(12-19)11-18-16(20)15(10-17)14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12,17H2,1H3,(H,18,20)
InChIKeyJOLXKSLUJCWOPP-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.19
Rot. Bonds5

About 3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide

3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide (PubChem CID 62877335) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide
PubChem CID62877335
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide
SMILESCN1CCCC(CNC(=O)C(CN)c2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-19-9-5-6-13(12-19)11-18-16(20)15(10-17)14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12,17H2,1H3,(H,18,20)
InChIKeyJOLXKSLUJCWOPP-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 104897742
3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide
CID 62876968
3-amino-2-phenyl-N-(thian-4-ylmethyl)propanamide;hydrochloride
CID 119756545
3-amino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
CID 62877300
3-amino-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 62878557
2-amino-2-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide
CID 119866660
(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
CID 81350574
2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 103515649
2-(2-methylphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95208865
1-(2,2-diphenylethyl)-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111766727
(2R)-2-amino-N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-phenylacetamide
CID 125147227
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 119855554

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide?
The IUPAC name of 3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide (CID 62877335) is 3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide is CN1CCCC(CNC(=O)C(CN)c2ccccc2)C1.
What is the InChIKey of 3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide?
The InChIKey is JOLXKSLUJCWOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19-9-5-6-13(12-19)11-18-16(20)15(10-17)14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide?
3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide has a molecular weight of 275.40 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide is sourced from PubChem (CID 62877335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).