N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride

C17H27ClN2O — CID 3062539

IUPACN-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride
SMILESCCC(=O)N(c1ccccc1)C(C)CN1CCCCC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-3-17(20)19(16-10-6-4-7-11-16)15(2)14-18-12-8-5-9-13-18;/h4,6-7,10-11,15H,3,5,8-9,12-14H2,1-2H3;1H
InChIKeyAUEUUAMHKRZWEJ-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.73
Rot. Bonds5

About N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride

N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride (PubChem CID 3062539) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride
PubChem CID3062539
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride
SMILESCCC(=O)N(c1ccccc1)C(C)CN1CCCCC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-3-17(20)19(16-10-6-4-7-11-16)15(2)14-18-12-8-5-9-13-18;/h4,6-7,10-11,15H,3,5,8-9,12-14H2,1-2H3;1H
InChIKeyAUEUUAMHKRZWEJ-UHFFFAOYSA-N
XLogP3.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride?
The IUPAC name of N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride (CID 3062539) is N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride is CCC(=O)N(c1ccccc1)C(C)CN1CCCCC1.Cl.
What is the InChIKey of N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride?
The InChIKey is AUEUUAMHKRZWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-3-17(20)19(16-10-6-4-7-11-16)15(2)14-18-12-8-5-9-13-18;/h4,6-7,10-11,15H,3,5,8-9,12-14H2,1-2H3;1H.
What are the key properties of N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride?
N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 3062539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).