2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide

C16H25N3O — CID 61464041

IUPAC2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-13(16(20)17-2)18-15-9-6-10-19(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,13,15,18H,6,9-12H2,1-2H3,(H,17,20)
InChIKeyVCAIDKOWOWRLQM-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.38
Rot. Bonds5

About 2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide

2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide (PubChem CID 61464041) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide
PubChem CID61464041
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-13(16(20)17-2)18-15-9-6-10-19(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,13,15,18H,6,9-12H2,1-2H3,(H,17,20)
InChIKeyVCAIDKOWOWRLQM-UHFFFAOYSA-N
XLogP1.38
TPSA44.37 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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-benzylpiperidin-3-yl)amino]-2-methylbutanoic acid
CID 79396709
(2R)-2-[[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl]amino]-N-methylpropanamide
CID 99639603
(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol
CID 51697425
1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 64590485
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
[(2R)-1-[(2S)-2-[(1-benzylpyrrolidin-3-yl)amino]propanoyl]pyrrolidin-2-yl]boronic acid;dihydrochloride
CID 162329338
1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine
CID 103777389
1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine
CID 113223834

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide (CID 61464041) is 2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide is CNC(=O)C(C)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide?
The InChIKey is VCAIDKOWOWRLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(16(20)17-2)18-15-9-6-10-19(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,13,15,18H,6,9-12H2,1-2H3,(H,17,20).
What are the key properties of 2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide?
2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide has a molecular weight of 275.40 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 61464041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).