N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxamide

C16H22N2O3 — CID 119307672

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCCCO2)C1CCCNC1
InChIInChI=1S/C16H22N2O3/c19-16(13-3-1-6-17-11-13)18-10-12-4-5-14-15(9-12)21-8-2-7-20-14/h4-5,9,13,17H,1-3,6-8,10-11H2,(H,18,19)
InChIKeyNPPAWOGHUNUOGQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.46
Rot. Bonds3

About N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxamide

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxamide (PubChem CID 119307672) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxamide
PubChem CID119307672
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCCCO2)C1CCCNC1
InChIInChI=1S/C16H22N2O3/c19-16(13-3-1-6-17-11-13)18-10-12-4-5-14-15(9-12)21-8-2-7-20-14/h4-5,9,13,17H,1-3,6-8,10-11H2,(H,18,19)
InChIKeyNPPAWOGHUNUOGQ-UHFFFAOYSA-N
XLogP1.46
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-4-carboxamide
CID 98037542
(2S,4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 120626507
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119307661
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide
CID 115159530
N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119261589
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 81125976
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide
CID 110784247
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride
CID 119756162

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxamide (CID 119307672) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccc2c(c1)OCCCO2)C1CCCNC1.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxamide?
The InChIKey is NPPAWOGHUNUOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-16(13-3-1-6-17-11-13)18-10-12-4-5-14-15(9-12)21-8-2-7-20-14/h4-5,9,13,17H,1-3,6-8,10-11H2,(H,18,19).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 119307672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).