N-(4-methyl-2-oxochromen-7-yl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide

C23H24N4O4 — CID 47076615

IUPACN-(4-methyl-2-oxochromen-7-yl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)N3CCC(NC(=O)Nc4ccccc4)CC3)ccc12
InChIInChI=1S/C23H24N4O4/c1-15-13-21(28)31-20-14-18(7-8-19(15)20)26-23(30)27-11-9-17(10-12-27)25-22(29)24-16-5-3-2-4-6-16/h2-8,13-14,17H,9-12H2,1H3,(H,26,30)(H2,24,25,29)
InChIKeyAQEIXTBIZZLOBX-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.92
Rot. Bonds3

About N-(4-methyl-2-oxochromen-7-yl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide

N-(4-methyl-2-oxochromen-7-yl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide (PubChem CID 47076615) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
PubChem CID47076615
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)N3CCC(NC(=O)Nc4ccccc4)CC3)ccc12
InChIInChI=1S/C23H24N4O4/c1-15-13-21(28)31-20-14-18(7-8-19(15)20)26-23(30)27-11-9-17(10-12-27)25-22(29)24-16-5-3-2-4-6-16/h2-8,13-14,17H,9-12H2,1H3,(H,26,30)(H2,24,25,29)
InChIKeyAQEIXTBIZZLOBX-UHFFFAOYSA-N
XLogP3.92
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea
CID 1294943
N-(4-methyl-2-oxochromen-7-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide
CID 118780195
4-(2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide
CID 47050835
1-cyclooctyl-3-(4-methyl-2-oxochromen-7-yl)thiourea
CID 19650553
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502
4-[(1-methylimidazol-2-yl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carboxamide
CID 118792501
1-(4-methyl-2-oxochromen-7-yl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]urea
CID 94776898
1-(1-cyclopropylpiperidin-4-yl)-3-dibenzofuran-3-ylurea
CID 71941296
7-anilino-4-methylchromen-2-one
CID 804341
N-(4-methyl-2-oxochromen-7-yl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093540
N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
CID 47815472
N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide
CID 5102257

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide (CID 47076615) is N-(4-methyl-2-oxochromen-7-yl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide is Cc1cc(=O)oc2cc(NC(=O)N3CCC(NC(=O)Nc4ccccc4)CC3)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide?
The InChIKey is AQEIXTBIZZLOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-15-13-21(28)31-20-14-18(7-8-19(15)20)26-23(30)27-11-9-17(10-12-27)25-22(29)24-16-5-3-2-4-6-16/h2-8,13-14,17H,9-12H2,1H3,(H,26,30)(H2,24,25,29).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide?
N-(4-methyl-2-oxochromen-7-yl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide is sourced from PubChem (CID 47076615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).