N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-2-cyclopentylacetamide

C25H39ClN2O — CID 58457784

IUPACN-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-2-cyclopentylacetamide
SMILESCC(C)[C@H](CN1CC[C@H](c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)CC1CCCC1
InChIInChI=1S/C25H39ClN2O/c1-18(2)23(27-24(29)15-19-7-5-6-8-19)16-28-14-13-22(25(3,4)17-28)20-9-11-21(26)12-10-20/h9-12,18-19,22-23H,5-8,13-17H2,1-4H3,(H,27,29)/t22-,23+/m1/s1
InChIKeyUICJUAWYMHQSBA-PKTZIBPZSA-N
MW419.05 g/mol
LogP5.88
Rot. Bonds7

About N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-2-cyclopentylacetamide

N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-2-cyclopentylacetamide (PubChem CID 58457784) has the molecular formula C25H39ClN2O and a molecular weight of 419.05 g/mol. Its IUPAC name is N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-2-cyclopentylacetamide
PubChem CID58457784
Molecular FormulaC25H39ClN2O
Molecular Weight419.05 g/mol
Exact Mass418.28
IUPAC NameN-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-2-cyclopentylacetamide
SMILESCC(C)[C@H](CN1CC[C@H](c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)CC1CCCC1
InChIInChI=1S/C25H39ClN2O/c1-18(2)23(27-24(29)15-19-7-5-6-8-19)16-28-14-13-22(25(3,4)17-28)20-9-11-21(26)12-10-20/h9-12,18-19,22-23H,5-8,13-17H2,1-4H3,(H,27,29)/t22-,23+/m1/s1
InChIKeyUICJUAWYMHQSBA-PKTZIBPZSA-N
XLogP5.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.05
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-2-cyclopentylacetamide with MolForge

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Related Compounds

N-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]pyridine-3-carboxamide
CID 91221472
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclohexylacetamide
CID 24758295
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]formamide
CID 58457296
N-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(propan-2-ylcarbamoylamino)propanamide
CID 143524895
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide;methane;dihydrate
CID 160503424
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-hydroxycyclohexane-1-carboxamide
CID 58457785
N-(1-chloro-3-methylbutan-2-yl)-2-cyclopentylacetamide
CID 114305487
2-cyclobutyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 103164734
1-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)urea
CID 70943368
5,6-dichloro-N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,3,4,5-tetrahydropyridine-3-carboxamide
CID 58457617
2-chloro-N-[(2R)-1-[4-(4-fluorocyclohexen-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]cyclohexene-1-carboxamide
CID 58457794
N-(1-chloro-4-methylpentan-3-yl)-2-cycloheptylacetamide
CID 106354818

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-2-cyclopentylacetamide?
The IUPAC name of N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-2-cyclopentylacetamide (CID 58457784) is N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-2-cyclopentylacetamide?
The canonical SMILES for N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-2-cyclopentylacetamide is CC(C)[C@H](CN1CC[C@H](c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)CC1CCCC1.
What is the InChIKey of N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-2-cyclopentylacetamide?
The InChIKey is UICJUAWYMHQSBA-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H39ClN2O/c1-18(2)23(27-24(29)15-19-7-5-6-8-19)16-28-14-13-22(25(3,4)17-28)20-9-11-21(26)12-10-20/h9-12,18-19,22-23H,5-8,13-17H2,1-4H3,(H,27,29)/t22-,23+/m1/s1.
What are the key properties of N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-2-cyclopentylacetamide?
N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-2-cyclopentylacetamide has a molecular weight of 419.05 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-2-cyclopentylacetamide is sourced from PubChem (CID 58457784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).