N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide

C26H34N2O5 — CID 55690999

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)NC3CCN(C(=O)C4CCCCC4)CC3)c(=O)oc2c1
InChIInChI=1S/C26H34N2O5/c1-17-21-9-8-20(32-2)16-23(21)33-26(31)22(17)10-11-24(29)27-19-12-14-28(15-13-19)25(30)18-6-4-3-5-7-18/h8-9,16,18-19H,3-7,10-15H2,1-2H3,(H,27,29)
InChIKeyIVOHRZIQHNEOEJ-UHFFFAOYSA-N
MW454.57 g/mol
LogP3.73
Rot. Bonds6

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide (PubChem CID 55690999) has the molecular formula C26H34N2O5 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
PubChem CID55690999
Molecular FormulaC26H34N2O5
Molecular Weight454.57 g/mol
Exact Mass454.25
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)NC3CCN(C(=O)C4CCCCC4)CC3)c(=O)oc2c1
InChIInChI=1S/C26H34N2O5/c1-17-21-9-8-20(32-2)16-23(21)33-26(31)22(17)10-11-24(29)27-19-12-14-28(15-13-19)25(30)18-6-4-3-5-7-18/h8-9,16,18-19H,3-7,10-15H2,1-2H3,(H,27,29)
InChIKeyIVOHRZIQHNEOEJ-UHFFFAOYSA-N
XLogP3.73
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide (CID 55690999) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide is COc1ccc2c(C)c(CCC(=O)NC3CCN(C(=O)C4CCCCC4)CC3)c(=O)oc2c1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
The InChIKey is IVOHRZIQHNEOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O5/c1-17-21-9-8-20(32-2)16-23(21)33-26(31)22(17)10-11-24(29)27-19-12-14-28(15-13-19)25(30)18-6-4-3-5-7-18/h8-9,16,18-19H,3-7,10-15H2,1-2H3,(H,27,29).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide has a molecular weight of 454.57 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide is sourced from PubChem (CID 55690999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).