(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride

C14H19ClN2O3 — CID 119669203

IUPAC(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCCN1
InChIInChI=1S/C14H18N2O3.ClH/c17-14(11-3-1-2-6-15-11)16-10-4-5-12-13(9-10)19-8-7-18-12;/h4-5,9,11,15H,1-3,6-8H2,(H,16,17);1H/t11-;/m1./s1
InChIKeyVKVQCOXAIKLEEL-RFVHGSKJSA-N
MW298.77 g/mol
LogP1.96
Rot. Bonds2

About (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride

(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119669203) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride
PubChem CID119669203
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCCN1
InChIInChI=1S/C14H18N2O3.ClH/c17-14(11-3-1-2-6-15-11)16-10-4-5-12-13(9-10)19-8-7-18-12;/h4-5,9,11,15H,1-3,6-8H2,(H,16,17);1H/t11-;/m1./s1
InChIKeyVKVQCOXAIKLEEL-RFVHGSKJSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
CID 24708049
(2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119668954
(2S)-N-(1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 22691464
(2R)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)piperidine-2-carboxamide
CID 119889210
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119268706
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-4-carboxamide
CID 24698635
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-2-carboxamide
CID 119279066
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)azepane-2-carboxamide
CID 64561845
N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
CID 730787
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride (CID 119669203) is (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is VKVQCOXAIKLEEL-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H18N2O3.ClH/c17-14(11-3-1-2-6-15-11)16-10-4-5-12-13(9-10)19-8-7-18-12;/h4-5,9,11,15H,1-3,6-8H2,(H,16,17);1H/t11-;/m1./s1.
What are the key properties of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride?
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119669203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).