5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide

C21H28N2O2 — CID 42850909

IUPAC5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide
SMILESCCCNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)o1
InChIInChI=1S/C21H28N2O2/c1-2-12-22-21(24)20-9-8-19(25-20)16-23-13-10-18(11-14-23)15-17-6-4-3-5-7-17/h3-9,18H,2,10-16H2,1H3,(H,22,24)
InChIKeyCSTIZZVPHLQWOW-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.87
Rot. Bonds7

About 5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide

5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide (PubChem CID 42850909) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide
PubChem CID42850909
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide
SMILESCCCNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)o1
InChIInChI=1S/C21H28N2O2/c1-2-12-22-21(24)20-9-8-19(25-20)16-23-13-10-18(11-14-23)15-17-6-4-3-5-7-17/h3-9,18H,2,10-16H2,1H3,(H,22,24)
InChIKeyCSTIZZVPHLQWOW-UHFFFAOYSA-N
XLogP3.87
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-benzylpiperidin-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 42850910
N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 46055527
N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414016
4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid
CID 163328080
5-[(4-methylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 42850852
N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78840822
5-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide
CID 25448460
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine
CID 53211570
5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 55214583
2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 42850917

Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide?
The IUPAC name of 5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide (CID 42850909) is 5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide.
What is the SMILES notation for 5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide?
The canonical SMILES for 5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide is CCCNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)o1.
What is the InChIKey of 5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide?
The InChIKey is CSTIZZVPHLQWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-2-12-22-21(24)20-9-8-19(25-20)16-23-13-10-18(11-14-23)15-17-6-4-3-5-7-17/h3-9,18H,2,10-16H2,1H3,(H,22,24).
What are the key properties of 5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide?
5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide is sourced from PubChem (CID 42850909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).