5,7-dimethoxy-4-oxo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]chromene-2-carboxamide

C26H29N3O6 — CID 172651916

IUPAC5,7-dimethoxy-4-oxo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]chromene-2-carboxamide
SMILESCCC(=O)NC1CCN(c2ccc(NC(=O)c3cc(=O)c4c(OC)cc(OC)cc4o3)cc2)CC1
InChIInChI=1S/C26H29N3O6/c1-4-24(31)27-17-9-11-29(12-10-17)18-7-5-16(6-8-18)28-26(32)23-15-20(30)25-21(34-3)13-19(33-2)14-22(25)35-23/h5-8,13-15,17H,4,9-12H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyCFZQPMKXEFKCHS-UHFFFAOYSA-N
MW479.53 g/mol
LogP3.56
Rot. Bonds7

About 5,7-dimethoxy-4-oxo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]chromene-2-carboxamide

5,7-dimethoxy-4-oxo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]chromene-2-carboxamide (PubChem CID 172651916) has the molecular formula C26H29N3O6 and a molecular weight of 479.53 g/mol. Its IUPAC name is 5,7-dimethoxy-4-oxo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]chromene-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethoxy-4-oxo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]chromene-2-carboxamide
PubChem CID172651916
Molecular FormulaC26H29N3O6
Molecular Weight479.53 g/mol
Exact Mass479.21
IUPAC Name5,7-dimethoxy-4-oxo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]chromene-2-carboxamide
SMILESCCC(=O)NC1CCN(c2ccc(NC(=O)c3cc(=O)c4c(OC)cc(OC)cc4o3)cc2)CC1
InChIInChI=1S/C26H29N3O6/c1-4-24(31)27-17-9-11-29(12-10-17)18-7-5-16(6-8-18)28-26(32)23-15-20(30)25-21(34-3)13-19(33-2)14-22(25)35-23/h5-8,13-15,17H,4,9-12H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyCFZQPMKXEFKCHS-UHFFFAOYSA-N
XLogP3.56
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide
CID 172651926
N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide
CID 172651943
7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
CID 51998270
3-bromo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]propanamide
CID 19086860
N-[1-[4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide
CID 91321572
7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11676170
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide
CID 84555255
N-[4-[4-[(2,4-dimethoxyphenyl)methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide
CID 42451584
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide
CID 11633561
6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
CID 23533312
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide
CID 17336206
4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-2-carboxamide
CID 133314091

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-4-oxo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]chromene-2-carboxamide?
The IUPAC name of 5,7-dimethoxy-4-oxo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]chromene-2-carboxamide (CID 172651916) is 5,7-dimethoxy-4-oxo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]chromene-2-carboxamide.
What is the SMILES notation for 5,7-dimethoxy-4-oxo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]chromene-2-carboxamide?
The canonical SMILES for 5,7-dimethoxy-4-oxo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]chromene-2-carboxamide is CCC(=O)NC1CCN(c2ccc(NC(=O)c3cc(=O)c4c(OC)cc(OC)cc4o3)cc2)CC1.
What is the InChIKey of 5,7-dimethoxy-4-oxo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]chromene-2-carboxamide?
The InChIKey is CFZQPMKXEFKCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O6/c1-4-24(31)27-17-9-11-29(12-10-17)18-7-5-16(6-8-18)28-26(32)23-15-20(30)25-21(34-3)13-19(33-2)14-22(25)35-23/h5-8,13-15,17H,4,9-12H2,1-3H3,(H,27,31)(H,28,32).
What are the key properties of 5,7-dimethoxy-4-oxo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]chromene-2-carboxamide?
5,7-dimethoxy-4-oxo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]chromene-2-carboxamide has a molecular weight of 479.53 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-4-oxo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]chromene-2-carboxamide is sourced from PubChem (CID 172651916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).