N-[4-hydroxy-4-methyl-1-(3-phenylpropyl)-2-thiophen-2-ylpiperidin-3-yl]cyclopentanecarboxamide

C25H34N2O2S — CID 162799348

IUPACN-[4-hydroxy-4-methyl-1-(3-phenylpropyl)-2-thiophen-2-ylpiperidin-3-yl]cyclopentanecarboxamide
SMILESCC1(O)CCN(CCCc2ccccc2)C(c2cccs2)C1NC(=O)C1CCCC1
InChIInChI=1S/C25H34N2O2S/c1-25(29)15-17-27(16-7-11-19-9-3-2-4-10-19)22(21-14-8-18-30-21)23(25)26-24(28)20-12-5-6-13-20/h2-4,8-10,14,18,20,22-23,29H,5-7,11-13,15-17H2,1H3,(H,26,28)
InChIKeyOXEZSZCIXIMIHV-UHFFFAOYSA-N
MW426.63 g/mol
LogP4.55
Rot. Bonds7

About N-[4-hydroxy-4-methyl-1-(3-phenylpropyl)-2-thiophen-2-ylpiperidin-3-yl]cyclopentanecarboxamide

N-[4-hydroxy-4-methyl-1-(3-phenylpropyl)-2-thiophen-2-ylpiperidin-3-yl]cyclopentanecarboxamide (PubChem CID 162799348) has the molecular formula C25H34N2O2S and a molecular weight of 426.63 g/mol. Its IUPAC name is N-[4-hydroxy-4-methyl-1-(3-phenylpropyl)-2-thiophen-2-ylpiperidin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-hydroxy-4-methyl-1-(3-phenylpropyl)-2-thiophen-2-ylpiperidin-3-yl]cyclopentanecarboxamide
PubChem CID162799348
Molecular FormulaC25H34N2O2S
Molecular Weight426.63 g/mol
Exact Mass426.23
IUPAC NameN-[4-hydroxy-4-methyl-1-(3-phenylpropyl)-2-thiophen-2-ylpiperidin-3-yl]cyclopentanecarboxamide
SMILESCC1(O)CCN(CCCc2ccccc2)C(c2cccs2)C1NC(=O)C1CCCC1
InChIInChI=1S/C25H34N2O2S/c1-25(29)15-17-27(16-7-11-19-9-3-2-4-10-19)22(21-14-8-18-30-21)23(25)26-24(28)20-12-5-6-13-20/h2-4,8-10,14,18,20,22-23,29H,5-7,11-13,15-17H2,1H3,(H,26,28)
InChIKeyOXEZSZCIXIMIHV-UHFFFAOYSA-N
XLogP4.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162907254
N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide
CID 162801614
N-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide
CID 162968981
N-[1-(3,3-dimethylbutyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162933425
N-[4-hydroxy-4-methyl-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide
CID 162891771
N-[(2R,3S,4R)-4-hydroxy-4-methyl-1-(pyridin-4-ylmethyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide
CID 125418227
N-[1-(cyclopentylmethyl)-4-hydroxy-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide
CID 162940206
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide
CID 162790477
N-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162907607
N-[(2R,3S,4R)-4-hydroxy-4-methyl-1-propyl-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide
CID 125418298
N-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide
CID 163073903
N-[(2R,3S,4R)-1-[(2-chlorophenyl)methyl]-4-hydroxy-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide
CID 125417994

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-4-methyl-1-(3-phenylpropyl)-2-thiophen-2-ylpiperidin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-hydroxy-4-methyl-1-(3-phenylpropyl)-2-thiophen-2-ylpiperidin-3-yl]cyclopentanecarboxamide (CID 162799348) is N-[4-hydroxy-4-methyl-1-(3-phenylpropyl)-2-thiophen-2-ylpiperidin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-hydroxy-4-methyl-1-(3-phenylpropyl)-2-thiophen-2-ylpiperidin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-hydroxy-4-methyl-1-(3-phenylpropyl)-2-thiophen-2-ylpiperidin-3-yl]cyclopentanecarboxamide is CC1(O)CCN(CCCc2ccccc2)C(c2cccs2)C1NC(=O)C1CCCC1.
What is the InChIKey of N-[4-hydroxy-4-methyl-1-(3-phenylpropyl)-2-thiophen-2-ylpiperidin-3-yl]cyclopentanecarboxamide?
The InChIKey is OXEZSZCIXIMIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2S/c1-25(29)15-17-27(16-7-11-19-9-3-2-4-10-19)22(21-14-8-18-30-21)23(25)26-24(28)20-12-5-6-13-20/h2-4,8-10,14,18,20,22-23,29H,5-7,11-13,15-17H2,1H3,(H,26,28).
What are the key properties of N-[4-hydroxy-4-methyl-1-(3-phenylpropyl)-2-thiophen-2-ylpiperidin-3-yl]cyclopentanecarboxamide?
N-[4-hydroxy-4-methyl-1-(3-phenylpropyl)-2-thiophen-2-ylpiperidin-3-yl]cyclopentanecarboxamide has a molecular weight of 426.63 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-4-methyl-1-(3-phenylpropyl)-2-thiophen-2-ylpiperidin-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 162799348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).