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

C15H20N2O3 — CID 115578699

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCCO2)N1CCCCC1
InChIInChI=1S/C15H20N2O3/c18-15(17-7-2-1-3-8-17)16-12-5-6-13-14(11-12)20-10-4-9-19-13/h5-6,11H,1-4,7-10H2,(H,16,18)
InChIKeyYCWJVTWYEYOWFL-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.87
Rot. Bonds1

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

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide (PubChem CID 115578699) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide
PubChem CID115578699
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCCO2)N1CCCCC1
InChIInChI=1S/C15H20N2O3/c18-15(17-7-2-1-3-8-17)16-12-5-6-13-14(11-12)20-10-4-9-19-13/h5-6,11H,1-4,7-10H2,(H,16,18)
InChIKeyYCWJVTWYEYOWFL-UHFFFAOYSA-N
XLogP2.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 47032814
(3R)-3-acetamido-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide
CID 94820143
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942469
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbothioamide
CID 17375162
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2,5-dimethylfuran-3-carbonyl)piperazine-1-carboxamide
CID 47050838
1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 43318323
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 111058352
4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-diazepane-1-carbothioamide
CID 3695781
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 71845719
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146056
4-(azepane-1-carbonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1-carboxamide
CID 109150262
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972102

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide (CID 115578699) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide is O=C(Nc1ccc2c(c1)OCCCO2)N1CCCCC1.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide?
The InChIKey is YCWJVTWYEYOWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-15(17-7-2-1-3-8-17)16-12-5-6-13-14(11-12)20-10-4-9-19-13/h5-6,11H,1-4,7-10H2,(H,16,18).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide is sourced from PubChem (CID 115578699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).