N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide

C29H34N2O3 — CID 42703534

IUPACN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide
SMILESCCc1ccc(C(=O)N(CCC(=O)N2CCC(Cc3ccccc3)CC2)Cc2ccco2)cc1
InChIInChI=1S/C29H34N2O3/c1-2-23-10-12-26(13-11-23)29(33)31(22-27-9-6-20-34-27)19-16-28(32)30-17-14-25(15-18-30)21-24-7-4-3-5-8-24/h3-13,20,25H,2,14-19,21-22H2,1H3
InChIKeyIGADERJKRZEQPR-UHFFFAOYSA-N
MW458.60 g/mol
LogP5.36
Rot. Bonds9

About N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide (PubChem CID 42703534) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide
PubChem CID42703534
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide
SMILESCCc1ccc(C(=O)N(CCC(=O)N2CCC(Cc3ccccc3)CC2)Cc2ccco2)cc1
InChIInChI=1S/C29H34N2O3/c1-2-23-10-12-26(13-11-23)29(33)31(22-27-9-6-20-34-27)19-16-28(32)30-17-14-25(15-18-30)21-24-7-4-3-5-8-24/h3-13,20,25H,2,14-19,21-22H2,1H3
InChIKeyIGADERJKRZEQPR-UHFFFAOYSA-N
XLogP5.36
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-bromo-N-(furan-2-ylmethyl)benzamide
CID 42703531
4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 34941214
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-butylacetamide
CID 113115792
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 1030756
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 4883752
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide
CID 113123069
3-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide
CID 42703548
4-ethyl-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 4102871
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 3596156
1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109032445
4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 4030396
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)acetamide
CID 113118002

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide (CID 42703534) is N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide is CCc1ccc(C(=O)N(CCC(=O)N2CCC(Cc3ccccc3)CC2)Cc2ccco2)cc1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide?
The InChIKey is IGADERJKRZEQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-2-23-10-12-26(13-11-23)29(33)31(22-27-9-6-20-34-27)19-16-28(32)30-17-14-25(15-18-30)21-24-7-4-3-5-8-24/h3-13,20,25H,2,14-19,21-22H2,1H3.
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide?
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide has a molecular weight of 458.60 g/mol, XLogP of 5.36, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 42703534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).