N-[1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide

C28H46N4O3 — CID 69146660

IUPACN-[1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide
SMILESCC1CCC(N(C(=O)c2ccco2)C2CCN(CCC3(CC(=O)N(C)C)CCCCC3)CC2)NC1
InChIInChI=1S/C28H46N4O3/c1-22-9-10-25(29-21-22)32(27(34)24-8-7-19-35-24)23-11-16-31(17-12-23)18-15-28(13-5-4-6-14-28)20-26(33)30(2)3/h7-8,19,22-23,25,29H,4-6,9-18,20-21H2,1-3H3
InChIKeyNKCOKRXFUOXQCX-UHFFFAOYSA-N
MW486.70 g/mol
LogP4.35
Rot. Bonds8

About N-[1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide

N-[1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide (PubChem CID 69146660) has the molecular formula C28H46N4O3 and a molecular weight of 486.70 g/mol. Its IUPAC name is N-[1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide
PubChem CID69146660
Molecular FormulaC28H46N4O3
Molecular Weight486.70 g/mol
Exact Mass486.36
IUPAC NameN-[1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide
SMILESCC1CCC(N(C(=O)c2ccco2)C2CCN(CCC3(CC(=O)N(C)C)CCCCC3)CC2)NC1
InChIInChI=1S/C28H46N4O3/c1-22-9-10-25(29-21-22)32(27(34)24-8-7-19-35-24)23-11-16-31(17-12-23)18-15-28(13-5-4-6-14-28)20-26(33)30(2)3/h7-8,19,22-23,25,29H,4-6,9-18,20-21H2,1-3H3
InChIKeyNKCOKRXFUOXQCX-UHFFFAOYSA-N
XLogP4.35
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.70
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide?
The IUPAC name of N-[1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide (CID 69146660) is N-[1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-[1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide?
The canonical SMILES for N-[1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide is CC1CCC(N(C(=O)c2ccco2)C2CCN(CCC3(CC(=O)N(C)C)CCCCC3)CC2)NC1.
What is the InChIKey of N-[1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide?
The InChIKey is NKCOKRXFUOXQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46N4O3/c1-22-9-10-25(29-21-22)32(27(34)24-8-7-19-35-24)23-11-16-31(17-12-23)18-15-28(13-5-4-6-14-28)20-26(33)30(2)3/h7-8,19,22-23,25,29H,4-6,9-18,20-21H2,1-3H3.
What are the key properties of N-[1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide?
N-[1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide has a molecular weight of 486.70 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]ethyl]piperidin-4-yl]-N-(5-methylpiperidin-2-yl)furan-2-carboxamide is sourced from PubChem (CID 69146660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).