N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide

C24H32N2O3 — CID 55949747

IUPACN-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)CCc2ccc(-c3ccccc3)o2)CC1
InChIInChI=1S/C24H32N2O3/c1-3-18(4-2)24(28)26-16-14-20(15-17-26)25-23(27)13-11-21-10-12-22(29-21)19-8-6-5-7-9-19/h5-10,12,18,20H,3-4,11,13-17H2,1-2H3,(H,25,27)
InChIKeyZSNBGDIZBPSMHI-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.42
Rot. Bonds8

About N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide

N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide (PubChem CID 55949747) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide
PubChem CID55949747
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)CCc2ccc(-c3ccccc3)o2)CC1
InChIInChI=1S/C24H32N2O3/c1-3-18(4-2)24(28)26-16-14-20(15-17-26)25-23(27)13-11-21-10-12-22(29-21)19-8-6-5-7-9-19/h5-10,12,18,20H,3-4,11,13-17H2,1-2H3,(H,25,27)
InChIKeyZSNBGDIZBPSMHI-UHFFFAOYSA-N
XLogP4.42
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-3-(5-phenylfuran-2-yl)propanamide
CID 18156265
N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 55962161
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55950520
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 55836960
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 55949745
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55950899
1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 110820100
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]propanamide
CID 86945191
3-[5-(4-methoxyphenyl)furan-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 46462462
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(5-phenylfuran-2-yl)propanamide
CID 86772530
4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide
CID 49380926
N-butan-2-yl-2-[4-[3-(5-phenylfuran-2-yl)propanoyl]piperazin-1-yl]acetamide
CID 134043788

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide?
The IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide (CID 55949747) is N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide.
What is the SMILES notation for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide?
The canonical SMILES for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide is CCC(CC)C(=O)N1CCC(NC(=O)CCc2ccc(-c3ccccc3)o2)CC1.
What is the InChIKey of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide?
The InChIKey is ZSNBGDIZBPSMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-3-18(4-2)24(28)26-16-14-20(15-17-26)25-23(27)13-11-21-10-12-22(29-21)19-8-6-5-7-9-19/h5-10,12,18,20H,3-4,11,13-17H2,1-2H3,(H,25,27).
What are the key properties of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide?
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide has a molecular weight of 396.53 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide is sourced from PubChem (CID 55949747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).