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

C22H30N2O2 — CID 24817618

IUPAC2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)NC1CCCN(Cc2ccc(CC(C)C)cc2)C1
InChIInChI=1S/C22H30N2O2/c1-16(2)13-18-6-8-19(9-7-18)14-24-11-4-5-20(15-24)23-22(25)21-10-12-26-17(21)3/h6-10,12,16,20H,4-5,11,13-15H2,1-3H3,(H,23,25)
InChIKeyXEIDUXIHXQRCMW-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.18
Rot. Bonds6

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

2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide (PubChem CID 24817618) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide
PubChem CID24817618
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)NC1CCCN(Cc2ccc(CC(C)C)cc2)C1
InChIInChI=1S/C22H30N2O2/c1-16(2)13-18-6-8-19(9-7-18)14-24-11-4-5-20(15-24)23-22(25)21-10-12-26-17(21)3/h6-10,12,16,20H,4-5,11,13-15H2,1-3H3,(H,23,25)
InChIKeyXEIDUXIHXQRCMW-UHFFFAOYSA-N
XLogP4.18
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide (CID 24817618) is 2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide is Cc1occc1C(=O)NC1CCCN(Cc2ccc(CC(C)C)cc2)C1.
What is the InChIKey of 2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide?
The InChIKey is XEIDUXIHXQRCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-16(2)13-18-6-8-19(9-7-18)14-24-11-4-5-20(15-24)23-22(25)21-10-12-26-17(21)3/h6-10,12,16,20H,4-5,11,13-15H2,1-3H3,(H,23,25).
What are the key properties of 2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide?
2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide has a molecular weight of 354.49 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]furan-3-carboxamide is sourced from PubChem (CID 24817618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).