(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide

C24H34F2N2O2 — CID 10622033

IUPAC(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide
SMILESCC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1
InChIInChI=1S/C24H34F2N2O2/c1-18(2)7-6-14-28-15-11-21(12-16-28)27-22(29)24(30,19-8-4-3-5-9-19)20-10-13-23(25,26)17-20/h3-5,7-9,20-21,30H,6,10-17H2,1-2H3,(H,27,29)/t20-,24+/m1/s1
InChIKeyKYYKFSMOYWOWFU-YKSBVNFPSA-N
MW420.54 g/mol
LogP4.25
Rot. Bonds7

About (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide

(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide (PubChem CID 10622033) has the molecular formula C24H34F2N2O2 and a molecular weight of 420.54 g/mol. Its IUPAC name is (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide
PubChem CID10622033
Molecular FormulaC24H34F2N2O2
Molecular Weight420.54 g/mol
Exact Mass420.26
IUPAC Name(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide
SMILESCC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1
InChIInChI=1S/C24H34F2N2O2/c1-18(2)7-6-14-28-15-11-21(12-16-28)27-22(29)24(30,19-8-4-3-5-9-19)20-10-13-23(25,26)17-20/h3-5,7-9,20-21,30H,6,10-17H2,1-2H3,(H,27,29)/t20-,24+/m1/s1
InChIKeyKYYKFSMOYWOWFU-YKSBVNFPSA-N
XLogP4.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide (CID 10622033) is (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide is CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1.
What is the InChIKey of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide?
The InChIKey is KYYKFSMOYWOWFU-YKSBVNFPSA-N. The full InChI is InChI=1S/C24H34F2N2O2/c1-18(2)7-6-14-28-15-11-21(12-16-28)27-22(29)24(30,19-8-4-3-5-9-19)20-10-13-23(25,26)17-20/h3-5,7-9,20-21,30H,6,10-17H2,1-2H3,(H,27,29)/t20-,24+/m1/s1.
What are the key properties of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide?
(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide has a molecular weight of 420.54 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 10622033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).