N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide

C22H34N2O4 — CID 100847457

IUPACN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C22H34N2O4/c1-15(2)19-5-4-16(3)12-20(19)28-14-21(25)23-18-6-9-24(10-7-18)22(26)17-8-11-27-13-17/h8,11,13,15-16,18-20H,4-7,9-10,12,14H2,1-3H3,(H,23,25)/t16-,19-,20+/m1/s1
InChIKeyWNZMDLIJBGXWRK-AHRSYUTCSA-N
MW390.52 g/mol
LogP3.48
Rot. Bonds6

About N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide

N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide (PubChem CID 100847457) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide.

Molecular Properties

Compound NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
PubChem CID100847457
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C22H34N2O4/c1-15(2)19-5-4-16(3)12-20(19)28-14-21(25)23-18-6-9-24(10-7-18)22(26)17-8-11-27-13-17/h8,11,13,15-16,18-20H,4-7,9-10,12,14H2,1-3H3,(H,23,25)/t16-,19-,20+/m1/s1
InChIKeyWNZMDLIJBGXWRK-AHRSYUTCSA-N
XLogP3.48
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
The IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide (CID 100847457) is N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide.
What is the SMILES notation for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
The canonical SMILES for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide is CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NC1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
The InChIKey is WNZMDLIJBGXWRK-AHRSYUTCSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-15(2)19-5-4-16(3)12-20(19)28-14-21(25)23-18-6-9-24(10-7-18)22(26)17-8-11-27-13-17/h8,11,13,15-16,18-20H,4-7,9-10,12,14H2,1-3H3,(H,23,25)/t16-,19-,20+/m1/s1.
What are the key properties of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide has a molecular weight of 390.52 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide is sourced from PubChem (CID 100847457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).