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

C15H23ClN2O — CID 2901408

IUPACN-(3-methylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
SMILESCc1cccc(NC(=O)CCN2CCCCC2)c1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-13-6-5-7-14(12-13)16-15(18)8-11-17-9-3-2-4-10-17;/h5-7,12H,2-4,8-11H2,1H3,(H,16,18);1H
InChIKeyDGQPCOPJAUSOJP-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.23
Rot. Bonds4

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

N-(3-methylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride (PubChem CID 2901408) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
PubChem CID2901408
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-(3-methylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
SMILESCc1cccc(NC(=O)CCN2CCCCC2)c1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-13-6-5-7-14(12-13)16-15(18)8-11-17-9-3-2-4-10-17;/h5-7,12H,2-4,8-11H2,1H3,(H,16,18);1H
InChIKeyDGQPCOPJAUSOJP-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride?
The IUPAC name of N-(3-methylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride (CID 2901408) is N-(3-methylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-methylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride?
The canonical SMILES for N-(3-methylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride is Cc1cccc(NC(=O)CCN2CCCCC2)c1.Cl.
What is the InChIKey of N-(3-methylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride?
The InChIKey is DGQPCOPJAUSOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-13-6-5-7-14(12-13)16-15(18)8-11-17-9-3-2-4-10-17;/h5-7,12H,2-4,8-11H2,1H3,(H,16,18);1H.
What are the key properties of N-(3-methylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride?
N-(3-methylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride is sourced from PubChem (CID 2901408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).