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

C25H28N2O4 — CID 162675988

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methoxy-4-oxochromene-3-carboxamide
SMILESCOc1ccc2occ(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)c2c1
InChIInChI=1S/C25H28N2O4/c1-30-20-7-8-23-21(15-20)24(28)22(17-31-23)25(29)26-12-9-18-10-13-27(14-11-18)16-19-5-3-2-4-6-19/h2-8,15,17-18H,9-14,16H2,1H3,(H,26,29)
InChIKeyUSQSMKRDPJTQEC-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.83
Rot. Bonds7

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

N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methoxy-4-oxochromene-3-carboxamide (PubChem CID 162675988) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methoxy-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methoxy-4-oxochromene-3-carboxamide
PubChem CID162675988
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methoxy-4-oxochromene-3-carboxamide
SMILESCOc1ccc2occ(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)c2c1
InChIInChI=1S/C25H28N2O4/c1-30-20-7-8-23-21(15-20)24(28)22(17-31-23)25(29)26-12-9-18-10-13-27(14-11-18)16-19-5-3-2-4-6-19/h2-8,15,17-18H,9-14,16H2,1H3,(H,26,29)
InChIKeyUSQSMKRDPJTQEC-UHFFFAOYSA-N
XLogP3.83
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methoxy-4-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methoxy-4-oxochromene-3-carboxamide (CID 162675988) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methoxy-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methoxy-4-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methoxy-4-oxochromene-3-carboxamide is COc1ccc2occ(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)c2c1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methoxy-4-oxochromene-3-carboxamide?
The InChIKey is USQSMKRDPJTQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-30-20-7-8-23-21(15-20)24(28)22(17-31-23)25(29)26-12-9-18-10-13-27(14-11-18)16-19-5-3-2-4-6-19/h2-8,15,17-18H,9-14,16H2,1H3,(H,26,29).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methoxy-4-oxochromene-3-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methoxy-4-oxochromene-3-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methoxy-4-oxochromene-3-carboxamide is sourced from PubChem (CID 162675988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).