N-(2,2-dimethylpropyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide

C15H31N3O2 — CID 135173691

IUPACN-(2,2-dimethylpropyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide
SMILESCOCC(C)N1CCN(CC(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C15H31N3O2/c1-13(11-20-5)18-8-6-17(7-9-18)10-14(19)16-12-15(2,3)4/h13H,6-12H2,1-5H3,(H,16,19)
InChIKeyJHSNVYYJQTYTEP-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.80
Rot. Bonds6

About N-(2,2-dimethylpropyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide

N-(2,2-dimethylpropyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide (PubChem CID 135173691) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide
PubChem CID135173691
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC NameN-(2,2-dimethylpropyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide
SMILESCOCC(C)N1CCN(CC(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C15H31N3O2/c1-13(11-20-5)18-8-6-17(7-9-18)10-14(19)16-12-15(2,3)4/h13H,6-12H2,1-5H3,(H,16,19)
InChIKeyJHSNVYYJQTYTEP-UHFFFAOYSA-N
XLogP0.80
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide;methane;propane;prop-1-ene
CID 153330361
N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide
CID 134335523
tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate
CID 129370784
2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 63341913
N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30960234
(3R)-1-[4-[(2R)-1-methoxypropan-2-yl]piperazin-1-yl]-3-methylpentan-1-one
CID 100704548
methyl (3R)-3-[4-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]butanoate
CID 95786399
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 24513106
N-butan-2-yl-2-[4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045413
N-(3,3-dimethylbutyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 87017511
2-[4-(4-methoxy-2,3-dimethylbutan-2-yl)piperazin-1-yl]-N-(2,3,3-trimethylbutan-2-yl)acetamide
CID 155031546
1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine
CID 162764220

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide (CID 135173691) is N-(2,2-dimethylpropyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide is COCC(C)N1CCN(CC(=O)NCC(C)(C)C)CC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide?
The InChIKey is JHSNVYYJQTYTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-13(11-20-5)18-8-6-17(7-9-18)10-14(19)16-12-15(2,3)4/h13H,6-12H2,1-5H3,(H,16,19).
What are the key properties of N-(2,2-dimethylpropyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide?
N-(2,2-dimethylpropyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide has a molecular weight of 285.43 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 135173691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).