N-(2-methylpiperidin-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide

C16H22N2O2 — CID 114695004

IUPACN-(2-methylpiperidin-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCC1NCCCC1NC(=O)C1OCCc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-11-14(7-4-9-17-11)18-16(19)15-13-6-3-2-5-12(13)8-10-20-15/h2-3,5-6,11,14-15,17H,4,7-10H2,1H3,(H,18,19)
InChIKeyIKCMAFNQYPGUFH-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.56
Rot. Bonds2

About N-(2-methylpiperidin-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide

N-(2-methylpiperidin-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 114695004) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID114695004
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(2-methylpiperidin-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCC1NCCCC1NC(=O)C1OCCc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-11-14(7-4-9-17-11)18-16(19)15-13-6-3-2-5-12(13)8-10-20-15/h2-3,5-6,11,14-15,17H,4,7-10H2,1H3,(H,18,19)
InChIKeyIKCMAFNQYPGUFH-UHFFFAOYSA-N
XLogP1.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-(2-methylpiperidin-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide (CID 114695004) is N-(2-methylpiperidin-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide is CC1NCCCC1NC(=O)C1OCCc2ccccc21.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is IKCMAFNQYPGUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-14(7-4-9-17-11)18-16(19)15-13-6-3-2-5-12(13)8-10-20-15/h2-3,5-6,11,14-15,17H,4,7-10H2,1H3,(H,18,19).
What are the key properties of N-(2-methylpiperidin-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide?
N-(2-methylpiperidin-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 114695004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).