N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide

C15H27N3O2 — CID 110709709

IUPACN-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
SMILESCC(C)(C)CC(=O)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)10-14(20)18-8-6-17(7-9-18)11-13(19)16-12-4-5-12/h12H,4-11H2,1-3H3,(H,16,19)
InChIKeyBCAGJLQXEPTICY-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.85
Rot. Bonds4

About N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide (PubChem CID 110709709) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
PubChem CID110709709
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
SMILESCC(C)(C)CC(=O)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)10-14(20)18-8-6-17(7-9-18)11-13(19)16-12-4-5-12/h12H,4-11H2,1-3H3,(H,16,19)
InChIKeyBCAGJLQXEPTICY-UHFFFAOYSA-N
XLogP0.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide
CID 120703373
N-cyclopropyl-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 78822225
N-cyclopropyl-2-(4-pentanoylpiperazin-1-yl)acetamide
CID 110709694
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110822230
N-cyclopropyl-2-[4-(3-propan-2-yloxypropanoyl)piperazin-1-yl]acetamide
CID 86929481
2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31426677
2-[4-(4-aminobutanoyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 119876677
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-cyclopropylacetamide;dihydrochloride
CID 119835232
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149436
N-(3-methylcyclohexyl)-2-[4-(3,4,4-trimethylpentanoyl)piperazin-1-yl]acetamide
CID 86901724
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-cyclohexylacetamide
CID 119876865
4-[2-(cyclohexylamino)-2-oxoethyl]piperazine-1-carbothioic S-acid
CID 132941398

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide (CID 110709709) is N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide is CC(C)(C)CC(=O)N1CCN(CC(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide?
The InChIKey is BCAGJLQXEPTICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(2,3)10-14(20)18-8-6-17(7-9-18)11-13(19)16-12-4-5-12/h12H,4-11H2,1-3H3,(H,16,19).
What are the key properties of N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide has a molecular weight of 281.40 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 110709709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).