(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide

C14H21N3O — CID 54996178

IUPAC(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C14H21N3O/c1-11(15)14(18)16-12-5-7-13(8-6-12)17-9-3-2-4-10-17/h5-8,11H,2-4,9-10,15H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyNFUNGUSNRQEUOQ-LLVKDONJSA-N
MW247.34 g/mol
LogP1.96
Rot. Bonds3

About (2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide

(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 54996178) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID54996178
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C14H21N3O/c1-11(15)14(18)16-12-5-7-13(8-6-12)17-9-3-2-4-10-17/h5-8,11H,2-4,9-10,15H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyNFUNGUSNRQEUOQ-LLVKDONJSA-N
XLogP1.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-[4-(azepan-1-yl)phenyl]-3-methylbutanamide
CID 79011906
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
(2S)-N-[4-(azepan-1-yl)phenyl]-2-chloropropanamide
CID 51869081
2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 60719278
(2S)-2-amino-N-[4-(azepan-1-yl)phenyl]butanamide
CID 79022944
2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide
CID 1480241
2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 134062601
(2S)-2-(azepan-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 9267789
2-amino-N-(4-pyrrolidin-1-ylphenyl)pentanamide
CID 43713003
3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 62727759
N-[4-(azepan-1-yl)phenyl]-2-bromobutanamide
CID 62855929
2-bromo-N-(4-piperidin-1-ylphenyl)butanamide
CID 62856119

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide (CID 54996178) is (2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide is C[C@@H](N)C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of (2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is NFUNGUSNRQEUOQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(15)14(18)16-12-5-7-13(8-6-12)17-9-3-2-4-10-17/h5-8,11H,2-4,9-10,15H2,1H3,(H,16,18)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide?
(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 247.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 54996178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).