2-cyclopentyl-N-[(2R)-1-[4-(4,5-difluorocyclohex-3-en-1-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide

C23H36F2N2O2 — CID 58458002

IUPAC2-cyclopentyl-N-[(2R)-1-[4-(4,5-difluorocyclohex-3-en-1-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide
SMILESCC(C)[C@@H](NC(=O)CC1CCCC1)C(=O)N1CCC(C2CC=C(F)C(F)C2)CC1
InChIInChI=1S/C23H36F2N2O2/c1-15(2)22(26-21(28)13-16-5-3-4-6-16)23(29)27-11-9-17(10-12-27)18-7-8-19(24)20(25)14-18/h8,15-18,20,22H,3-7,9-14H2,1-2H3,(H,26,28)/t18?,20?,22-/m1/s1
InChIKeyXSYSVUQMXPGHFB-ZOGYUUGASA-N
MW410.55 g/mol
LogP4.55
Rot. Bonds6

About 2-cyclopentyl-N-[(2R)-1-[4-(4,5-difluorocyclohex-3-en-1-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide

2-cyclopentyl-N-[(2R)-1-[4-(4,5-difluorocyclohex-3-en-1-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide (PubChem CID 58458002) has the molecular formula C23H36F2N2O2 and a molecular weight of 410.55 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(2R)-1-[4-(4,5-difluorocyclohex-3-en-1-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(2R)-1-[4-(4,5-difluorocyclohex-3-en-1-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide
PubChem CID58458002
Molecular FormulaC23H36F2N2O2
Molecular Weight410.55 g/mol
Exact Mass410.27
IUPAC Name2-cyclopentyl-N-[(2R)-1-[4-(4,5-difluorocyclohex-3-en-1-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide
SMILESCC(C)[C@@H](NC(=O)CC1CCCC1)C(=O)N1CCC(C2CC=C(F)C(F)C2)CC1
InChIInChI=1S/C23H36F2N2O2/c1-15(2)22(26-21(28)13-16-5-3-4-6-16)23(29)27-11-9-17(10-12-27)18-7-8-19(24)20(25)14-18/h8,15-18,20,22H,3-7,9-14H2,1-2H3,(H,26,28)/t18?,20?,22-/m1/s1
InChIKeyXSYSVUQMXPGHFB-ZOGYUUGASA-N
XLogP4.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(2R)-1-[4-(4,5-difluorocyclohex-3-en-1-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(2R)-1-[4-(4,5-difluorocyclohex-3-en-1-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide (CID 58458002) is 2-cyclopentyl-N-[(2R)-1-[4-(4,5-difluorocyclohex-3-en-1-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(2R)-1-[4-(4,5-difluorocyclohex-3-en-1-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(2R)-1-[4-(4,5-difluorocyclohex-3-en-1-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide is CC(C)[C@@H](NC(=O)CC1CCCC1)C(=O)N1CCC(C2CC=C(F)C(F)C2)CC1.
What is the InChIKey of 2-cyclopentyl-N-[(2R)-1-[4-(4,5-difluorocyclohex-3-en-1-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide?
The InChIKey is XSYSVUQMXPGHFB-ZOGYUUGASA-N. The full InChI is InChI=1S/C23H36F2N2O2/c1-15(2)22(26-21(28)13-16-5-3-4-6-16)23(29)27-11-9-17(10-12-27)18-7-8-19(24)20(25)14-18/h8,15-18,20,22H,3-7,9-14H2,1-2H3,(H,26,28)/t18?,20?,22-/m1/s1.
What are the key properties of 2-cyclopentyl-N-[(2R)-1-[4-(4,5-difluorocyclohex-3-en-1-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide?
2-cyclopentyl-N-[(2R)-1-[4-(4,5-difluorocyclohex-3-en-1-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide has a molecular weight of 410.55 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(2R)-1-[4-(4,5-difluorocyclohex-3-en-1-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 58458002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).