(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

C22H34N4O2 — CID 93209571

IUPAC(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(C)CC(=O)N1CCN([C@@H](C(=O)NCc2ccccn2)C2CCCC2)CC1
InChIInChI=1S/C22H34N4O2/c1-17(2)15-20(27)25-11-13-26(14-12-25)21(18-7-3-4-8-18)22(28)24-16-19-9-5-6-10-23-19/h5-6,9-10,17-18,21H,3-4,7-8,11-16H2,1-2H3,(H,24,28)/t21-/m1/s1
InChIKeyCGDDWYNQJVQTRS-OAQYLSRUSA-N
MW386.54 g/mol
LogP2.45
Rot. Bonds7

About (2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 93209571) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID93209571
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(C)CC(=O)N1CCN([C@@H](C(=O)NCc2ccccn2)C2CCCC2)CC1
InChIInChI=1S/C22H34N4O2/c1-17(2)15-20(27)25-11-13-26(14-12-25)21(18-7-3-4-8-18)22(28)24-16-19-9-5-6-10-23-19/h5-6,9-10,17-18,21H,3-4,7-8,11-16H2,1-2H3,(H,24,28)/t21-/m1/s1
InChIKeyCGDDWYNQJVQTRS-OAQYLSRUSA-N
XLogP2.45
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide with MolForge

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Related Compounds

4-[(1S)-1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 93221257
2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 24719942
4-[1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 46027247
(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 93210379
2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46024433
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(2-pyridin-2-ylethyl)acetamide
CID 42842428
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(2-pyridin-2-ylethyl)acetamide
CID 46024203
2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 46152900
2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 42842421
4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113103329
1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 24719217
2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 46024721

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of (2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 93209571) is (2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for (2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for (2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is CC(C)CC(=O)N1CCN([C@@H](C(=O)NCc2ccccn2)C2CCCC2)CC1.
What is the InChIKey of (2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is CGDDWYNQJVQTRS-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-17(2)15-20(27)25-11-13-26(14-12-25)21(18-7-3-4-8-18)22(28)24-16-19-9-5-6-10-23-19/h5-6,9-10,17-18,21H,3-4,7-8,11-16H2,1-2H3,(H,24,28)/t21-/m1/s1.
What are the key properties of (2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 386.54 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 93209571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).