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

C24H26N2O3 — CID 162654822

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-oxochromene-3-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)c1coc2ccccc2c1=O
InChIInChI=1S/C24H26N2O3/c27-23-20-8-4-5-9-22(20)29-17-21(23)24(28)25-13-10-18-11-14-26(15-12-18)16-19-6-2-1-3-7-19/h1-9,17-18H,10-16H2,(H,25,28)
InChIKeyRFBQNFSEIPHGIR-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.83
Rot. Bonds6

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

N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-oxochromene-3-carboxamide (PubChem CID 162654822) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-oxochromene-3-carboxamide
PubChem CID162654822
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-oxochromene-3-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)c1coc2ccccc2c1=O
InChIInChI=1S/C24H26N2O3/c27-23-20-8-4-5-9-22(20)29-17-21(23)24(28)25-13-10-18-11-14-26(15-12-18)16-19-6-2-1-3-7-19/h1-9,17-18H,10-16H2,(H,25,28)
InChIKeyRFBQNFSEIPHGIR-UHFFFAOYSA-N
XLogP3.83
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.83
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]-4-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-oxochromene-3-carboxamide (CID 162654822) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-oxochromene-3-carboxamide is O=C(NCCC1CCN(Cc2ccccc2)CC1)c1coc2ccccc2c1=O.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-oxochromene-3-carboxamide?
The InChIKey is RFBQNFSEIPHGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c27-23-20-8-4-5-9-22(20)29-17-21(23)24(28)25-13-10-18-11-14-26(15-12-18)16-19-6-2-1-3-7-19/h1-9,17-18H,10-16H2,(H,25,28).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-oxochromene-3-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-oxochromene-3-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 3.83, 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]-4-oxochromene-3-carboxamide is sourced from PubChem (CID 162654822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).