2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide

C17H27N3O — CID 43695355

IUPAC2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide
SMILESCC(CN1CCCCC1)NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C17H27N3O/c1-14(13-20-10-6-3-7-11-20)19-17(21)16(18)12-15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13,18H2,1H3,(H,19,21)
InChIKeyIXYVUORXVYDGDQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.55
Rot. Bonds6

About 2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide

2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide (PubChem CID 43695355) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide
PubChem CID43695355
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide
SMILESCC(CN1CCCCC1)NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C17H27N3O/c1-14(13-20-10-6-3-7-11-20)19-17(21)16(18)12-15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13,18H2,1H3,(H,19,21)
InChIKeyIXYVUORXVYDGDQ-UHFFFAOYSA-N
XLogP1.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride
CID 119851464
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
(2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119298734
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396
(2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide
CID 78955758
(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
CID 81386066
2-amino-3-phenyl-N-(2-piperidin-1-ylpropyl)propanamide
CID 61017950
2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide
CID 113486466
2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)butanamide
CID 76893128
2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid
CID 18223062
[(1R)-1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]boronic acid
CID 74765736

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide?
The IUPAC name of 2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide (CID 43695355) is 2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide.
What is the SMILES notation for 2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide?
The canonical SMILES for 2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide is CC(CN1CCCCC1)NC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide?
The InChIKey is IXYVUORXVYDGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(13-20-10-6-3-7-11-20)19-17(21)16(18)12-15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13,18H2,1H3,(H,19,21).
What are the key properties of 2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide?
2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide is sourced from PubChem (CID 43695355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).