N'-[4-(cyclohexylcarbamoyl)-1-methylpiperidin-4-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide

C26H37N5O5 — CID 648429

IUPACN'-[4-(cyclohexylcarbamoyl)-1-methylpiperidin-4-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCN(C)CC2)no1
InChIInChI=1S/C26H37N5O5/c1-19-17-22(29-36-19)28-23(32)10-11-24(33)31(18-21-9-6-16-35-21)26(12-14-30(2)15-13-26)25(34)27-20-7-4-3-5-8-20/h6,9,16-17,20H,3-5,7-8,10-15,18H2,1-2H3,(H,27,34)(H,28,29,32)
InChIKeyFDVPLWKRPSKRAL-UHFFFAOYSA-N
MW499.61 g/mol
LogP3.24
Rot. Bonds9

About N'-[4-(cyclohexylcarbamoyl)-1-methylpiperidin-4-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide

N'-[4-(cyclohexylcarbamoyl)-1-methylpiperidin-4-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (PubChem CID 648429) has the molecular formula C26H37N5O5 and a molecular weight of 499.61 g/mol. Its IUPAC name is N'-[4-(cyclohexylcarbamoyl)-1-methylpiperidin-4-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.

Molecular Properties

Compound NameN'-[4-(cyclohexylcarbamoyl)-1-methylpiperidin-4-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
PubChem CID648429
Molecular FormulaC26H37N5O5
Molecular Weight499.61 g/mol
Exact Mass499.28
IUPAC NameN'-[4-(cyclohexylcarbamoyl)-1-methylpiperidin-4-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCN(C)CC2)no1
InChIInChI=1S/C26H37N5O5/c1-19-17-22(29-36-19)28-23(32)10-11-24(33)31(18-21-9-6-16-35-21)26(12-14-30(2)15-13-26)25(34)27-20-7-4-3-5-8-20/h6,9,16-17,20H,3-5,7-8,10-15,18H2,1-2H3,(H,27,34)(H,28,29,32)
InChIKeyFDVPLWKRPSKRAL-UHFFFAOYSA-N
XLogP3.24
TPSA120.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(cyclohexylcarbamoyl)-1-methylpiperidin-4-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The IUPAC name of N'-[4-(cyclohexylcarbamoyl)-1-methylpiperidin-4-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (CID 648429) is N'-[4-(cyclohexylcarbamoyl)-1-methylpiperidin-4-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.
What is the SMILES notation for N'-[4-(cyclohexylcarbamoyl)-1-methylpiperidin-4-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The canonical SMILES for N'-[4-(cyclohexylcarbamoyl)-1-methylpiperidin-4-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide is Cc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCN(C)CC2)no1.
What is the InChIKey of N'-[4-(cyclohexylcarbamoyl)-1-methylpiperidin-4-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The InChIKey is FDVPLWKRPSKRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O5/c1-19-17-22(29-36-19)28-23(32)10-11-24(33)31(18-21-9-6-16-35-21)26(12-14-30(2)15-13-26)25(34)27-20-7-4-3-5-8-20/h6,9,16-17,20H,3-5,7-8,10-15,18H2,1-2H3,(H,27,34)(H,28,29,32).
What are the key properties of N'-[4-(cyclohexylcarbamoyl)-1-methylpiperidin-4-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
N'-[4-(cyclohexylcarbamoyl)-1-methylpiperidin-4-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide has a molecular weight of 499.61 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(cyclohexylcarbamoyl)-1-methylpiperidin-4-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide is sourced from PubChem (CID 648429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).