(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide

C16H25N3O — CID 79022762

IUPAC(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
SMILESCC[C@H](N)C(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-2-15(17)16(20)18-14-9-6-10-19(12-14)11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12,17H2,1H3,(H,18,20)/t14?,15-/m0/s1
InChIKeyDOWWBVKILZDDFJ-LOACHALJSA-N
MW275.40 g/mol
LogP1.50
Rot. Bonds5

About (2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide

(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide (PubChem CID 79022762) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
PubChem CID79022762
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
SMILESCC[C@H](N)C(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-2-15(17)16(20)18-14-9-6-10-19(12-14)11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12,17H2,1H3,(H,18,20)/t14?,15-/m0/s1
InChIKeyDOWWBVKILZDDFJ-LOACHALJSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119862385
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride
CID 119856024
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119831669
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 64590485
1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
(2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119844586
(2S)-2-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]butanamide
CID 119884082
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide?
The IUPAC name of (2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide (CID 79022762) is (2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide is CC[C@H](N)C(=O)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide?
The InChIKey is DOWWBVKILZDDFJ-LOACHALJSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-15(17)16(20)18-14-9-6-10-19(12-14)11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12,17H2,1H3,(H,18,20)/t14?,15-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide?
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide has a molecular weight of 275.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide is sourced from PubChem (CID 79022762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).