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

C15H21ClN2O3 — CID 119268706

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc2c(c1)OCCO2)C1CCCCN1
InChIInChI=1S/C15H20N2O3.ClH/c18-15(12-3-1-2-6-16-12)17-10-11-4-5-13-14(9-11)20-8-7-19-13;/h4-5,9,12,16H,1-3,6-8,10H2,(H,17,18);1H
InChIKeyINRXBUXGPKJPLQ-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.64
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119268706) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119268706
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc2c(c1)OCCO2)C1CCCCN1
InChIInChI=1S/C15H20N2O3.ClH/c18-15(12-3-1-2-6-16-12)17-10-11-4-5-13-14(9-11)20-8-7-19-13;/h4-5,9,12,16H,1-3,6-8,10H2,(H,17,18);1H
InChIKeyINRXBUXGPKJPLQ-UHFFFAOYSA-N
XLogP1.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119307661
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride
CID 119756162
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride
CID 119669203
N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119308776
N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
CID 24708049
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-4-carboxamide
CID 98037542
N-[(3-chloro-4-fluorophenyl)methyl]azepane-2-carboxamide
CID 64568354
N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119263557
N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119261589
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-2-carboxamide;hydrochloride (CID 119268706) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1ccc2c(c1)OCCO2)C1CCCCN1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is INRXBUXGPKJPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3.ClH/c18-15(12-3-1-2-6-16-12)17-10-11-4-5-13-14(9-11)20-8-7-19-13;/h4-5,9,12,16H,1-3,6-8,10H2,(H,17,18);1H.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-2-carboxamide;hydrochloride?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 1.64, 3 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-6-ylmethyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119268706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).