N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide

C23H29N3O4 — CID 46019645

IUPACN-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide
SMILESCCCNC(=O)C(NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H29N3O4/c1-3-12-24-22(28)20(25-21(27)18-8-5-4-7-16(18)2)17-10-13-26(14-11-17)23(29)19-9-6-15-30-19/h4-9,15,17,20H,3,10-14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyDCMSCYGNGMAKPN-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.77
Rot. Bonds7

About N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide

N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide (PubChem CID 46019645) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide
PubChem CID46019645
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide
SMILESCCCNC(=O)C(NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H29N3O4/c1-3-12-24-22(28)20(25-21(27)18-8-5-4-7-16(18)2)17-10-13-26(14-11-17)23(29)19-9-6-15-30-19/h4-9,15,17,20H,3,10-14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyDCMSCYGNGMAKPN-UHFFFAOYSA-N
XLogP2.77
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide?
The IUPAC name of N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide (CID 46019645) is N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide is CCCNC(=O)C(NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide?
The InChIKey is DCMSCYGNGMAKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-3-12-24-22(28)20(25-21(27)18-8-5-4-7-16(18)2)17-10-13-26(14-11-17)23(29)19-9-6-15-30-19/h4-9,15,17,20H,3,10-14H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide?
N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide has a molecular weight of 411.50 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide is sourced from PubChem (CID 46019645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).