molecular hydrogen;3-piperidin-1-yl-N-(3-propan-2-ylphenyl)propanamide

C17H28N2O — CID 142203211

IUPACmolecular hydrogen;3-piperidin-1-yl-N-(3-propan-2-ylphenyl)propanamide
SMILESCC(C)c1cccc(NC(=O)CCN2CCCCC2)c1.[H][H]
InChIInChI=1S/C17H26N2O.H2/c1-14(2)15-7-6-8-16(13-15)18-17(20)9-12-19-10-4-3-5-11-19;/h6-8,13-14H,3-5,9-12H2,1-2H3,(H,18,20);1H
InChIKeyFDQYVAZOAMIXTA-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.87
Rot. Bonds5

About molecular hydrogen;3-piperidin-1-yl-N-(3-propan-2-ylphenyl)propanamide

molecular hydrogen;3-piperidin-1-yl-N-(3-propan-2-ylphenyl)propanamide (PubChem CID 142203211) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is molecular hydrogen;3-piperidin-1-yl-N-(3-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Namemolecular hydrogen;3-piperidin-1-yl-N-(3-propan-2-ylphenyl)propanamide
PubChem CID142203211
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Namemolecular hydrogen;3-piperidin-1-yl-N-(3-propan-2-ylphenyl)propanamide
SMILESCC(C)c1cccc(NC(=O)CCN2CCCCC2)c1.[H][H]
InChIInChI=1S/C17H26N2O.H2/c1-14(2)15-7-6-8-16(13-15)18-17(20)9-12-19-10-4-3-5-11-19;/h6-8,13-14H,3-5,9-12H2,1-2H3,(H,18,20);1H
InChIKeyFDQYVAZOAMIXTA-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze molecular hydrogen;3-piperidin-1-yl-N-(3-propan-2-ylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide
CID 119883310
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946
4-oxo-4-(3-propan-2-ylanilino)butanoic acid
CID 43396404
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide
CID 59840298
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43348732
2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 61295961
2-piperazin-1-yl-N-(3-propan-2-ylphenyl)acetamide
CID 29009163
N-(3,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771509
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 134045501

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;3-piperidin-1-yl-N-(3-propan-2-ylphenyl)propanamide?
The IUPAC name of molecular hydrogen;3-piperidin-1-yl-N-(3-propan-2-ylphenyl)propanamide (CID 142203211) is molecular hydrogen;3-piperidin-1-yl-N-(3-propan-2-ylphenyl)propanamide.
What is the SMILES notation for molecular hydrogen;3-piperidin-1-yl-N-(3-propan-2-ylphenyl)propanamide?
The canonical SMILES for molecular hydrogen;3-piperidin-1-yl-N-(3-propan-2-ylphenyl)propanamide is CC(C)c1cccc(NC(=O)CCN2CCCCC2)c1.[H][H].
What is the InChIKey of molecular hydrogen;3-piperidin-1-yl-N-(3-propan-2-ylphenyl)propanamide?
The InChIKey is FDQYVAZOAMIXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.H2/c1-14(2)15-7-6-8-16(13-15)18-17(20)9-12-19-10-4-3-5-11-19;/h6-8,13-14H,3-5,9-12H2,1-2H3,(H,18,20);1H.
What are the key properties of molecular hydrogen;3-piperidin-1-yl-N-(3-propan-2-ylphenyl)propanamide?
molecular hydrogen;3-piperidin-1-yl-N-(3-propan-2-ylphenyl)propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;3-piperidin-1-yl-N-(3-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 142203211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).