(2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide

C15H23N3O — CID 104984736

IUPAC(2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)NN1CCCCC1
InChIInChI=1S/C15H23N3O/c16-14(10-9-13-7-3-1-4-8-13)15(19)17-18-11-5-2-6-12-18/h1,3-4,7-8,14H,2,5-6,9-12,16H2,(H,17,19)/t14-/m0/s1
InChIKeyKBWYEHYGOSVWQY-AWEZNQCLSA-N
MW261.37 g/mol
LogP1.46
Rot. Bonds5

About (2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide

(2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide (PubChem CID 104984736) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide
PubChem CID104984736
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)NN1CCCCC1
InChIInChI=1S/C15H23N3O/c16-14(10-9-13-7-3-1-4-8-13)15(19)17-18-11-5-2-6-12-18/h1,3-4,7-8,14H,2,5-6,9-12,16H2,(H,17,19)/t14-/m0/s1
InChIKeyKBWYEHYGOSVWQY-AWEZNQCLSA-N
XLogP1.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide?
The IUPAC name of (2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide (CID 104984736) is (2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide.
What is the SMILES notation for (2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide?
The canonical SMILES for (2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide is N[C@@H](CCc1ccccc1)C(=O)NN1CCCCC1.
What is the InChIKey of (2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide?
The InChIKey is KBWYEHYGOSVWQY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O/c16-14(10-9-13-7-3-1-4-8-13)15(19)17-18-11-5-2-6-12-18/h1,3-4,7-8,14H,2,5-6,9-12,16H2,(H,17,19)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide?
(2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide has a molecular weight of 261.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide is sourced from PubChem (CID 104984736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).