2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-[(1-methylpiperidin-4-yl)methyl]carbamate

C24H35N3O4 — CID 155705107

IUPAC2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-[(1-methylpiperidin-4-yl)methyl]carbamate
SMILESCCN(CC)c1ccc2c(C)c(CCOC(=O)NCC3CCN(C)CC3)c(=O)oc2c1
InChIInChI=1S/C24H35N3O4/c1-5-27(6-2)19-7-8-20-17(3)21(23(28)31-22(20)15-19)11-14-30-24(29)25-16-18-9-12-26(4)13-10-18/h7-8,15,18H,5-6,9-14,16H2,1-4H3,(H,25,29)
InChIKeySCEDPAOZYASCGU-UHFFFAOYSA-N
MW429.56 g/mol
LogP3.56
Rot. Bonds8

About 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-[(1-methylpiperidin-4-yl)methyl]carbamate

2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-[(1-methylpiperidin-4-yl)methyl]carbamate (PubChem CID 155705107) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-[(1-methylpiperidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Name2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-[(1-methylpiperidin-4-yl)methyl]carbamate
PubChem CID155705107
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Name2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-[(1-methylpiperidin-4-yl)methyl]carbamate
SMILESCCN(CC)c1ccc2c(C)c(CCOC(=O)NCC3CCN(C)CC3)c(=O)oc2c1
InChIInChI=1S/C24H35N3O4/c1-5-27(6-2)19-7-8-20-17(3)21(23(28)31-22(20)15-19)11-14-30-24(29)25-16-18-9-12-26(4)13-10-18/h7-8,15,18H,5-6,9-14,16H2,1-4H3,(H,25,29)
InChIKeySCEDPAOZYASCGU-UHFFFAOYSA-N
XLogP3.56
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-[(1-methylpiperidin-4-yl)methyl]carbamate?
The IUPAC name of 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-[(1-methylpiperidin-4-yl)methyl]carbamate (CID 155705107) is 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-[(1-methylpiperidin-4-yl)methyl]carbamate.
What is the SMILES notation for 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-[(1-methylpiperidin-4-yl)methyl]carbamate?
The canonical SMILES for 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-[(1-methylpiperidin-4-yl)methyl]carbamate is CCN(CC)c1ccc2c(C)c(CCOC(=O)NCC3CCN(C)CC3)c(=O)oc2c1.
What is the InChIKey of 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-[(1-methylpiperidin-4-yl)methyl]carbamate?
The InChIKey is SCEDPAOZYASCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-5-27(6-2)19-7-8-20-17(3)21(23(28)31-22(20)15-19)11-14-30-24(29)25-16-18-9-12-26(4)13-10-18/h7-8,15,18H,5-6,9-14,16H2,1-4H3,(H,25,29).
What are the key properties of 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-[(1-methylpiperidin-4-yl)methyl]carbamate?
2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-[(1-methylpiperidin-4-yl)methyl]carbamate has a molecular weight of 429.56 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-[(1-methylpiperidin-4-yl)methyl]carbamate is sourced from PubChem (CID 155705107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).