N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)piperidine-2-carboxamide;hydrochloride

C14H25ClN2O2 — CID 119345560

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCC2OCCC12)C1CCCCN1
InChIInChI=1S/C14H24N2O2.ClH/c17-14(12-4-1-2-8-15-12)16-11-5-3-6-13-10(11)7-9-18-13;/h10-13,15H,1-9H2,(H,16,17);1H
InChIKeyIVQJBGMEINXMBY-UHFFFAOYSA-N
MW288.82 g/mol
LogP1.62
Rot. Bonds2

About N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)piperidine-2-carboxamide;hydrochloride

N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119345560) has the molecular formula C14H25ClN2O2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)piperidine-2-carboxamide;hydrochloride
PubChem CID119345560
Molecular FormulaC14H25ClN2O2
Molecular Weight288.82 g/mol
Exact Mass288.16
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCC2OCCC12)C1CCCCN1
InChIInChI=1S/C14H24N2O2.ClH/c17-14(12-4-1-2-8-15-12)16-11-5-3-6-13-10(11)7-9-18-13;/h10-13,15H,1-9H2,(H,16,17);1H
InChIKeyIVQJBGMEINXMBY-UHFFFAOYSA-N
XLogP1.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)piperidine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)pyrrolidine-2-carboxamide
CID 119345577
N-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 110911866
N-(2-methylcyclohexyl)azepane-2-carboxamide
CID 64564160
N-(2,3-dimethylcyclohexyl)azepane-2-carboxamide
CID 64562992
(2S)-N-(2-methoxycyclopentyl)piperidine-2-carboxamide
CID 104913815
(2R)-N-[2-(hydroxymethyl)cyclohexyl]piperidine-2-carboxamide
CID 114178725
N-(2-ethylsulfanylcyclopentyl)piperidine-2-carboxamide;hydrochloride
CID 119343690
N-(2-methylcyclopentyl)pyrrolidine-2-carboxamide
CID 63281892
N-(2-phenylcyclopentyl)piperidine-2-carboxamide;hydrochloride
CID 119323259
N-[6-(piperidine-2-carbonylamino)piperidin-2-yl]piperidine-2-carboxamide
CID 4867709
N-cyclopentylazepane-2-carboxamide
CID 64564743
(2R)-N-[2-(hydroxymethyl)cyclopentyl]pyrrolidine-2-carboxamide
CID 103796942

Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)piperidine-2-carboxamide;hydrochloride (CID 119345560) is N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)piperidine-2-carboxamide;hydrochloride is Cl.O=C(NC1CCCC2OCCC12)C1CCCCN1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is IVQJBGMEINXMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2.ClH/c17-14(12-4-1-2-8-15-12)16-11-5-3-6-13-10(11)7-9-18-13;/h10-13,15H,1-9H2,(H,16,17);1H.
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)piperidine-2-carboxamide;hydrochloride?
N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 288.82 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119345560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).