ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide

C17H28N2O — CID 143383579

IUPACethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
SMILESCC.Cc1cccc(NC(=O)CCN2CCCCC2)c1
InChIInChI=1S/C15H22N2O.C2H6/c1-13-6-5-7-14(12-13)16-15(18)8-11-17-9-3-2-4-10-17;1-2/h5-7,12H,2-4,8-11H2,1H3,(H,16,18);1-2H3
InChIKeyFRBANGMPUQNMPY-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.84
Rot. Bonds4

About ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide

ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide (PubChem CID 143383579) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound Nameethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
PubChem CID143383579
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Nameethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
SMILESCC.Cc1cccc(NC(=O)CCN2CCCCC2)c1
InChIInChI=1S/C15H22N2O.C2H6/c1-13-6-5-7-14(12-13)16-15(18)8-11-17-9-3-2-4-10-17;1-2/h5-7,12H,2-4,8-11H2,1H3,(H,16,18);1-2H3
InChIKeyFRBANGMPUQNMPY-UHFFFAOYSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-(3,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771509
N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 739962
3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946
N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride
CID 24747038
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide
CID 778184
ethyl (3S)-1-[3-(3-methylanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 739964
molecular hydrogen;3-piperidin-1-yl-N-(3-propan-2-ylphenyl)propanamide
CID 142203211
(2R)-2-amino-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide
CID 119883310
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 42858886

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide?
The IUPAC name of ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide (CID 143383579) is ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide.
What is the SMILES notation for ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide?
The canonical SMILES for ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide is CC.Cc1cccc(NC(=O)CCN2CCCCC2)c1.
What is the InChIKey of ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide?
The InChIKey is FRBANGMPUQNMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.C2H6/c1-13-6-5-7-14(12-13)16-15(18)8-11-17-9-3-2-4-10-17;1-2/h5-7,12H,2-4,8-11H2,1H3,(H,16,18);1-2H3.
What are the key properties of ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide?
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide has a molecular weight of 276.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 143383579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).