N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methyl-4-oxochromene-3-carboxamide

C25H28N2O3 — CID 162655555

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methyl-4-oxochromene-3-carboxamide
SMILESCc1ccc2occ(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)c2c1
InChIInChI=1S/C25H28N2O3/c1-18-7-8-23-21(15-18)24(28)22(17-30-23)25(29)26-12-9-19-10-13-27(14-11-19)16-20-5-3-2-4-6-20/h2-8,15,17,19H,9-14,16H2,1H3,(H,26,29)
InChIKeySNSYUYWYEUNZER-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.13
Rot. Bonds6

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methyl-4-oxochromene-3-carboxamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methyl-4-oxochromene-3-carboxamide (PubChem CID 162655555) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methyl-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methyl-4-oxochromene-3-carboxamide
PubChem CID162655555
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methyl-4-oxochromene-3-carboxamide
SMILESCc1ccc2occ(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)c2c1
InChIInChI=1S/C25H28N2O3/c1-18-7-8-23-21(15-18)24(28)22(17-30-23)25(29)26-12-9-19-10-13-27(14-11-19)16-20-5-3-2-4-6-20/h2-8,15,17,19H,9-14,16H2,1H3,(H,26,29)
InChIKeySNSYUYWYEUNZER-UHFFFAOYSA-N
XLogP4.13
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methyl-4-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methyl-4-oxochromene-3-carboxamide (CID 162655555) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methyl-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methyl-4-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methyl-4-oxochromene-3-carboxamide is Cc1ccc2occ(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)c2c1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methyl-4-oxochromene-3-carboxamide?
The InChIKey is SNSYUYWYEUNZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-18-7-8-23-21(15-18)24(28)22(17-30-23)25(29)26-12-9-19-10-13-27(14-11-19)16-20-5-3-2-4-6-20/h2-8,15,17,19H,9-14,16H2,1H3,(H,26,29).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methyl-4-oxochromene-3-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methyl-4-oxochromene-3-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methyl-4-oxochromene-3-carboxamide is sourced from PubChem (CID 162655555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).