N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxochromene-2-carboxamide

C25H26N2O3 — CID 42509695

IUPACN-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxochromene-2-carboxamide
SMILESCN(C(=O)c1cc(=O)c2ccccc2o1)[C@H]1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C25H26N2O3/c1-26(25(29)24-15-22(28)21-10-4-5-11-23(21)30-24)19-9-6-12-27(16-19)20-13-17-7-2-3-8-18(17)14-20/h2-5,7-8,10-11,15,19-20H,6,9,12-14,16H2,1H3/t19-/m0/s1
InChIKeyRQCCJWHTHXQRDR-IBGZPJMESA-N
MW402.49 g/mol
LogP3.50
Rot. Bonds3

About N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxochromene-2-carboxamide

N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxochromene-2-carboxamide (PubChem CID 42509695) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxochromene-2-carboxamide
PubChem CID42509695
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxochromene-2-carboxamide
SMILESCN(C(=O)c1cc(=O)c2ccccc2o1)[C@H]1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C25H26N2O3/c1-26(25(29)24-15-22(28)21-10-4-5-11-23(21)30-24)19-9-6-12-27(16-19)20-13-17-7-2-3-8-18(17)14-20/h2-5,7-8,10-11,15,19-20H,6,9,12-14,16H2,1H3/t19-/m0/s1
InChIKeyRQCCJWHTHXQRDR-IBGZPJMESA-N
XLogP3.50
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxochromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxochromene-2-carboxamide (CID 42509695) is N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxochromene-2-carboxamide is CN(C(=O)c1cc(=O)c2ccccc2o1)[C@H]1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxochromene-2-carboxamide?
The InChIKey is RQCCJWHTHXQRDR-IBGZPJMESA-N. The full InChI is InChI=1S/C25H26N2O3/c1-26(25(29)24-15-22(28)21-10-4-5-11-23(21)30-24)19-9-6-12-27(16-19)20-13-17-7-2-3-8-18(17)14-20/h2-5,7-8,10-11,15,19-20H,6,9,12-14,16H2,1H3/t19-/m0/s1.
What are the key properties of N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxochromene-2-carboxamide?
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxochromene-2-carboxamide has a molecular weight of 402.49 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 42509695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).