N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-4-carboxamide;hydrochloride

C14H19ClN2O3 — CID 119298931

IUPACN-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc2c1OCCO2)C1CCNCC1
InChIInChI=1S/C14H18N2O3.ClH/c17-14(10-4-6-15-7-5-10)16-11-2-1-3-12-13(11)19-9-8-18-12;/h1-3,10,15H,4-9H2,(H,16,17);1H
InChIKeyJHMFEXRRSHDRPX-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.82
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-4-carboxamide;hydrochloride

N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119298931) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID119298931
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc2c1OCCO2)C1CCNCC1
InChIInChI=1S/C14H18N2O3.ClH/c17-14(10-4-6-15-7-5-10)16-11-2-1-3-12-13(11)19-9-8-18-12;/h1-3,10,15H,4-9H2,(H,16,17);1H
InChIKeyJHMFEXRRSHDRPX-UHFFFAOYSA-N
XLogP1.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-4-carboxamide;hydrochloride (CID 119298931) is N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1cccc2c1OCCO2)C1CCNCC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is JHMFEXRRSHDRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3.ClH/c17-14(10-4-6-15-7-5-10)16-11-2-1-3-12-13(11)19-9-8-18-12;/h1-3,10,15H,4-9H2,(H,16,17);1H.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-4-carboxamide;hydrochloride?
N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119298931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).