N-(3,3-dimethylbutyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide

C15H29N3O3 — CID 87017511

IUPACN-(3,3-dimethylbutyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
SMILESCOCC(=O)N1CCN(CC(=O)NCCC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)5-6-16-13(19)11-17-7-9-18(10-8-17)14(20)12-21-4/h5-12H2,1-4H3,(H,16,19)
InChIKeyRNGBCRLSNHTWPJ-UHFFFAOYSA-N
MW299.42 g/mol
LogP0.33
Rot. Bonds6

About N-(3,3-dimethylbutyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide

N-(3,3-dimethylbutyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide (PubChem CID 87017511) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
PubChem CID87017511
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC NameN-(3,3-dimethylbutyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
SMILESCOCC(=O)N1CCN(CC(=O)NCCC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)5-6-16-13(19)11-17-7-9-18(10-8-17)14(20)12-21-4/h5-12H2,1-4H3,(H,16,19)
InChIKeyRNGBCRLSNHTWPJ-UHFFFAOYSA-N
XLogP0.33
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 51329271
2-(4-aminopiperidin-1-yl)-N-(3,3-dimethylbutyl)acetamide;hydrochloride
CID 119908436
2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429545
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
CID 78912437
N-(3,3-dimethylbutyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide;methane
CID 162526511
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55432469
2-[4,7-bis(carboxymethyl)-10-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 162505425
2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide
CID 79203329
2-[4,7-bis(carboxymethyl)-10-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;gadolinium
CID 162505424
1-[4-(2-methoxyacetyl)piperazin-1-yl]butane-1,3-dione
CID 54876612
3-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetyl]amino]propanoic acid
CID 166607119
2-[4,7-bis(carboxymethyl)-10-[2-[(3-ethoxy-3-methylbutyl)amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 129273950

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide (CID 87017511) is N-(3,3-dimethylbutyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide is COCC(=O)N1CCN(CC(=O)NCCC(C)(C)C)CC1.
What is the InChIKey of N-(3,3-dimethylbutyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide?
The InChIKey is RNGBCRLSNHTWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-15(2,3)5-6-16-13(19)11-17-7-9-18(10-8-17)14(20)12-21-4/h5-12H2,1-4H3,(H,16,19).
What are the key properties of N-(3,3-dimethylbutyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide?
N-(3,3-dimethylbutyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide has a molecular weight of 299.42 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 87017511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).