N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide

C18H22N2O2 — CID 136577828

IUPACN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide
SMILESCc1ccccc1CN1CCC(NC(=O)c2ccoc2)CC1
InChIInChI=1S/C18H22N2O2/c1-14-4-2-3-5-15(14)12-20-9-6-17(7-10-20)19-18(21)16-8-11-22-13-16/h2-5,8,11,13,17H,6-7,9-10,12H2,1H3,(H,19,21)
InChIKeyCYTCYCJTYXOUQY-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.98
Rot. Bonds4

About N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide

N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide (PubChem CID 136577828) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide
PubChem CID136577828
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide
SMILESCc1ccccc1CN1CCC(NC(=O)c2ccoc2)CC1
InChIInChI=1S/C18H22N2O2/c1-14-4-2-3-5-15(14)12-20-9-6-17(7-10-20)19-18(21)16-8-11-22-13-16/h2-5,8,11,13,17H,6-7,9-10,12H2,1H3,(H,19,21)
InChIKeyCYTCYCJTYXOUQY-UHFFFAOYSA-N
XLogP2.98
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide
CID 55753843
3-chloro-4-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 119047224
2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 87020158
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043015
1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 86997426
3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)benzamide
CID 55753935
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 136530424
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
N-cyclopropylfuran-3-carboxamide
CID 60698418
1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide
CID 55911141
N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
CID 55753716
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 136577829

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide (CID 136577828) is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide is Cc1ccccc1CN1CCC(NC(=O)c2ccoc2)CC1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide?
The InChIKey is CYTCYCJTYXOUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-4-2-3-5-15(14)12-20-9-6-17(7-10-20)19-18(21)16-8-11-22-13-16/h2-5,8,11,13,17H,6-7,9-10,12H2,1H3,(H,19,21).
What are the key properties of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide?
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide is sourced from PubChem (CID 136577828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).