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

C24H36N2O3 — CID 102016687

IUPAC(2R)-2-hydroxy-2-[(3S)-3-hydroxycyclopentyl]-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide
SMILESCC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)C2CC[C@H](O)C2)CC1
InChIInChI=1S/C24H36N2O3/c1-18(2)7-6-14-26-15-12-21(13-16-26)25-23(28)24(29,19-8-4-3-5-9-19)20-10-11-22(27)17-20/h3-5,7-9,20-22,27,29H,6,10-17H2,1-2H3,(H,25,28)/t20?,22-,24-/m0/s1
InChIKeySCFOSBYRXXJTEX-HEIGWGIGSA-N
MW400.56 g/mol
LogP2.97
Rot. Bonds7

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

(2R)-2-hydroxy-2-[(3S)-3-hydroxycyclopentyl]-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide (PubChem CID 102016687) has the molecular formula C24H36N2O3 and a molecular weight of 400.56 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-[(3S)-3-hydroxycyclopentyl]-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-[(3S)-3-hydroxycyclopentyl]-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide
PubChem CID102016687
Molecular FormulaC24H36N2O3
Molecular Weight400.56 g/mol
Exact Mass400.27
IUPAC Name(2R)-2-hydroxy-2-[(3S)-3-hydroxycyclopentyl]-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide
SMILESCC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)C2CC[C@H](O)C2)CC1
InChIInChI=1S/C24H36N2O3/c1-18(2)7-6-14-26-15-12-21(13-16-26)25-23(28)24(29,19-8-4-3-5-9-19)20-10-11-22(27)17-20/h3-5,7-9,20-22,27,29H,6,10-17H2,1-2H3,(H,25,28)/t20?,22-,24-/m0/s1
InChIKeySCFOSBYRXXJTEX-HEIGWGIGSA-N
XLogP2.97
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(3S)-3-fluorocyclopentyl]-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide
CID 102016689
(E)-but-2-enedioic acid;2-cyclopentyl-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide
CID 18922159
(2R)-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-[(1S,3S)-3-[(4-nitrophenyl)sulfonylamino]cyclopentyl]-2-phenylacetamide
CID 10008480
2-cyclopentyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-hydroxy-2-phenylacetamide
CID 10810094
2-cyclopentyl-2-hydroxy-N-[[[(1R,5S)-3-(4-methylpent-3-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-2-phenylacetamide
CID 16718142
2-cyclopentyl-2-hydroxy-N-[1-(3-methylpent-4-ynyl)piperidin-4-yl]-2-phenylacetamide
CID 18922142
2-cyclopentyl-2-hydroxy-N-[1-[2-(5-methylcyclopenten-1-yl)ethyl]piperidin-4-yl]-2-phenylacetamide
CID 18922048
tert-butyl 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidine-1-carboxylate
CID 23289906
N-[1-(cyclopenten-1-ylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 18922005
(2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
CID 102016686
2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide
CID 23289915
2-cyclopentyl-2-hydroxy-N-[1-[[4-(hydroxymethyl)-2-pyridinyl]methyl]piperidin-4-yl]-2-phenylacetamide
CID 23289921

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-[(3S)-3-hydroxycyclopentyl]-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide?
The IUPAC name of (2R)-2-hydroxy-2-[(3S)-3-hydroxycyclopentyl]-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide (CID 102016687) is (2R)-2-hydroxy-2-[(3S)-3-hydroxycyclopentyl]-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-hydroxy-2-[(3S)-3-hydroxycyclopentyl]-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-hydroxy-2-[(3S)-3-hydroxycyclopentyl]-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide is CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)C2CC[C@H](O)C2)CC1.
What is the InChIKey of (2R)-2-hydroxy-2-[(3S)-3-hydroxycyclopentyl]-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide?
The InChIKey is SCFOSBYRXXJTEX-HEIGWGIGSA-N. The full InChI is InChI=1S/C24H36N2O3/c1-18(2)7-6-14-26-15-12-21(13-16-26)25-23(28)24(29,19-8-4-3-5-9-19)20-10-11-22(27)17-20/h3-5,7-9,20-22,27,29H,6,10-17H2,1-2H3,(H,25,28)/t20?,22-,24-/m0/s1.
What are the key properties of (2R)-2-hydroxy-2-[(3S)-3-hydroxycyclopentyl]-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide?
(2R)-2-hydroxy-2-[(3S)-3-hydroxycyclopentyl]-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide has a molecular weight of 400.56 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-[(3S)-3-hydroxycyclopentyl]-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 102016687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).