2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-3-methylbutanamide

C21H31ClN2O2 — CID 53384146

IUPAC2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CCCC1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H31ClN2O2/c1-15(2)19(20(25)23-18-5-3-4-6-18)24-13-11-21(26,12-14-24)16-7-9-17(22)10-8-16/h7-10,15,18-19,26H,3-6,11-14H2,1-2H3,(H,23,25)
InChIKeyYMCDOUBWXOOFRU-UHFFFAOYSA-N
MW378.94 g/mol
LogP3.71
Rot. Bonds5

About 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-3-methylbutanamide

2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-3-methylbutanamide (PubChem CID 53384146) has the molecular formula C21H31ClN2O2 and a molecular weight of 378.94 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-3-methylbutanamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-3-methylbutanamide
PubChem CID53384146
Molecular FormulaC21H31ClN2O2
Molecular Weight378.94 g/mol
Exact Mass378.21
IUPAC Name2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CCCC1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H31ClN2O2/c1-15(2)19(20(25)23-18-5-3-4-6-18)24-13-11-21(26,12-14-24)16-7-9-17(22)10-8-16/h7-10,15,18-19,26H,3-6,11-14H2,1-2H3,(H,23,25)
InChIKeyYMCDOUBWXOOFRU-UHFFFAOYSA-N
XLogP3.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.94
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-3-methylbutanamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-3-methylbutanamide (CID 53384146) is 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-3-methylbutanamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-3-methylbutanamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-3-methylbutanamide is CC(C)C(C(=O)NC1CCCC1)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-3-methylbutanamide?
The InChIKey is YMCDOUBWXOOFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN2O2/c1-15(2)19(20(25)23-18-5-3-4-6-18)24-13-11-21(26,12-14-24)16-7-9-17(22)10-8-16/h7-10,15,18-19,26H,3-6,11-14H2,1-2H3,(H,23,25).
What are the key properties of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-3-methylbutanamide?
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-3-methylbutanamide has a molecular weight of 378.94 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-3-methylbutanamide is sourced from PubChem (CID 53384146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).