N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide

C23H28N2O5 — CID 171916185

IUPACN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide
SMILESCCc1cc(=O)oc2cc(OC(C)C(=O)NC3CCN(C(=O)C4CC4)CC3)ccc12
InChIInChI=1S/C23H28N2O5/c1-3-15-12-21(26)30-20-13-18(6-7-19(15)20)29-14(2)22(27)24-17-8-10-25(11-9-17)23(28)16-4-5-16/h6-7,12-14,16-17H,3-5,8-11H2,1-2H3,(H,24,27)
InChIKeyLZYKXFVDVPEVKE-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.64
Rot. Bonds6

About N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide (PubChem CID 171916185) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide
PubChem CID171916185
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide
SMILESCCc1cc(=O)oc2cc(OC(C)C(=O)NC3CCN(C(=O)C4CC4)CC3)ccc12
InChIInChI=1S/C23H28N2O5/c1-3-15-12-21(26)30-20-13-18(6-7-19(15)20)29-14(2)22(27)24-17-8-10-25(11-9-17)23(28)16-4-5-16/h6-7,12-14,16-17H,3-5,8-11H2,1-2H3,(H,24,27)
InChIKeyLZYKXFVDVPEVKE-UHFFFAOYSA-N
XLogP2.64
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetate
CID 6953924
(2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid
CID 135639471
acetic acid;7-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]oxy-4-ethylchromen-2-one
CID 172896663
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-hydroxypropyl)propanamide
CID 4906505
7-[1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]oxy-4-ethylchromen-2-one
CID 171910311
(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 7580834
7-[(2R)-1-[(4aS,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-1-oxopropan-2-yl]oxy-4-ethylchromen-2-one
CID 7091144
4-ethyl-7-[1-oxo-1-(1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)propan-2-yl]oxychromen-2-one
CID 171908811
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2445277
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511939
N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 171912351
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)propanamide
CID 171909752

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide (CID 171916185) is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide is CCc1cc(=O)oc2cc(OC(C)C(=O)NC3CCN(C(=O)C4CC4)CC3)ccc12.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide?
The InChIKey is LZYKXFVDVPEVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-3-15-12-21(26)30-20-13-18(6-7-19(15)20)29-14(2)22(27)24-17-8-10-25(11-9-17)23(28)16-4-5-16/h6-7,12-14,16-17H,3-5,8-11H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide?
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide has a molecular weight of 412.49 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxypropanamide is sourced from PubChem (CID 171916185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).