2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide

C28H33N3O2 — CID 23289915

IUPAC2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(NC1CCN(Cc2ccc3ccccc3n2)CC1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C28H33N3O2/c32-27(28(33,23-11-5-6-12-23)22-9-2-1-3-10-22)30-24-16-18-31(19-17-24)20-25-15-14-21-8-4-7-13-26(21)29-25/h1-4,7-10,13-15,23-24,33H,5-6,11-12,16-20H2,(H,30,32)
InChIKeyXGXKBWVZAFGVLL-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.39
Rot. Bonds6

About 2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide

2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 23289915) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide
PubChem CID23289915
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Name2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(NC1CCN(Cc2ccc3ccccc3n2)CC1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C28H33N3O2/c32-27(28(33,23-11-5-6-12-23)22-9-2-1-3-10-22)30-24-16-18-31(19-17-24)20-25-15-14-21-8-4-7-13-26(21)29-25/h1-4,7-10,13-15,23-24,33H,5-6,11-12,16-20H2,(H,30,32)
InChIKeyXGXKBWVZAFGVLL-UHFFFAOYSA-N
XLogP4.39
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide with MolForge

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Related Compounds

2-cyclopentyl-2-hydroxy-N-[1-[[4-(hydroxymethyl)-2-pyridinyl]methyl]piperidin-4-yl]-2-phenylacetamide
CID 23289921
2-cyclopentyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-hydroxy-2-phenylacetamide
CID 10810094
N-[1-(cyclopenten-1-ylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 18922005
(2R)-N-cyclopropyl-2-hydroxy-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide
CID 129489272
[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid
CID 154457782
(2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide
CID 54093625
2-cyclopentyl-2-hydroxy-N-[1-(3-methylpent-4-ynyl)piperidin-4-yl]-2-phenylacetamide
CID 18922142
(E)-but-2-enedioic acid;2-cyclopentyl-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide
CID 18922159
2-cyclopentyl-2-hydroxy-N-[1-[2-(5-methylcyclopenten-1-yl)ethyl]piperidin-4-yl]-2-phenylacetamide
CID 18922048
N-cyclopropyl-1-[1-(quinolin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42095769
tert-butyl 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidine-1-carboxylate
CID 23289906
(2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
CID 102016686

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide (CID 23289915) is 2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide is O=C(NC1CCN(Cc2ccc3ccccc3n2)CC1)C(O)(c1ccccc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is XGXKBWVZAFGVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c32-27(28(33,23-11-5-6-12-23)22-9-2-1-3-10-22)30-24-16-18-31(19-17-24)20-25-15-14-21-8-4-7-13-26(21)29-25/h1-4,7-10,13-15,23-24,33H,5-6,11-12,16-20H2,(H,30,32).
What are the key properties of 2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide?
2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 443.59 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 23289915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).