N-[4-(furan-2-yl)phenyl]-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide

C26H30N2O4 — CID 24791768

IUPACN-[4-(furan-2-yl)phenyl]-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCOCc1cc(CN2CCCC(C(=O)Nc3ccc(-c4ccco4)cc3)C2)ccc1OC
InChIInChI=1S/C26H30N2O4/c1-30-18-22-15-19(7-12-24(22)31-2)16-28-13-3-5-21(17-28)26(29)27-23-10-8-20(9-11-23)25-6-4-14-32-25/h4,6-12,14-15,21H,3,5,13,16-18H2,1-2H3,(H,27,29)
InChIKeyVZCBNSOFBYOTBH-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.95
Rot. Bonds8

About N-[4-(furan-2-yl)phenyl]-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide

N-[4-(furan-2-yl)phenyl]-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 24791768) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[4-(furan-2-yl)phenyl]-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)phenyl]-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID24791768
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC NameN-[4-(furan-2-yl)phenyl]-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCOCc1cc(CN2CCCC(C(=O)Nc3ccc(-c4ccco4)cc3)C2)ccc1OC
InChIInChI=1S/C26H30N2O4/c1-30-18-22-15-19(7-12-24(22)31-2)16-28-13-3-5-21(17-28)26(29)27-23-10-8-20(9-11-23)25-6-4-14-32-25/h4,6-12,14-15,21H,3,5,13,16-18H2,1-2H3,(H,27,29)
InChIKeyVZCBNSOFBYOTBH-UHFFFAOYSA-N
XLogP4.95
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)phenyl]-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)phenyl]-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide (CID 24791768) is N-[4-(furan-2-yl)phenyl]-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)phenyl]-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)phenyl]-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide is COCc1cc(CN2CCCC(C(=O)Nc3ccc(-c4ccco4)cc3)C2)ccc1OC.
What is the InChIKey of N-[4-(furan-2-yl)phenyl]-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is VZCBNSOFBYOTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-30-18-22-15-19(7-12-24(22)31-2)16-28-13-3-5-21(17-28)26(29)27-23-10-8-20(9-11-23)25-6-4-14-32-25/h4,6-12,14-15,21H,3,5,13,16-18H2,1-2H3,(H,27,29).
What are the key properties of N-[4-(furan-2-yl)phenyl]-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide?
N-[4-(furan-2-yl)phenyl]-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)phenyl]-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24791768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).