N-(3,3-dimethylbutyl)-3-methyl-3-piperazin-1-ylbutanamide

C15H31N3O — CID 115189208

IUPACN-(3,3-dimethylbutyl)-3-methyl-3-piperazin-1-ylbutanamide
SMILESCC(C)(C)CCNC(=O)CC(C)(C)N1CCNCC1
InChIInChI=1S/C15H31N3O/c1-14(2,3)6-7-17-13(19)12-15(4,5)18-10-8-16-9-11-18/h16H,6-12H2,1-5H3,(H,17,19)
InChIKeyVRYUFXTWPKAWAF-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.61
Rot. Bonds5

About N-(3,3-dimethylbutyl)-3-methyl-3-piperazin-1-ylbutanamide

N-(3,3-dimethylbutyl)-3-methyl-3-piperazin-1-ylbutanamide (PubChem CID 115189208) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-3-methyl-3-piperazin-1-ylbutanamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-3-methyl-3-piperazin-1-ylbutanamide
PubChem CID115189208
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-(3,3-dimethylbutyl)-3-methyl-3-piperazin-1-ylbutanamide
SMILESCC(C)(C)CCNC(=O)CC(C)(C)N1CCNCC1
InChIInChI=1S/C15H31N3O/c1-14(2,3)6-7-17-13(19)12-15(4,5)18-10-8-16-9-11-18/h16H,6-12H2,1-5H3,(H,17,19)
InChIKeyVRYUFXTWPKAWAF-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutyl)-2-piperazin-1-ylacetamide
CID 49853674
3-Methyl-1-(piperazin-1-yl)butan-1-one hydrochloride
CID 45791423
1-(3,3-Dimethylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 58562017
1-(3-Methylbutanoyl)piperazine
CID 3862879
3,3-dimethyl-N-(1-methyl(4-piperidyl))butanamide
CID 25236109
1-[2-(Aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 61823810
1-Cyclopropanecarbonyl-3,3-dimethylpiperazine
CID 71695500
3,3-Dimethyl-1-(piperazin-1-yl)butan-1-one hydrochloride
CID 122164014
N-(1-ethyl(4-piperidyl))-3,3-dimethylbutanamide
CID 17250345
(2S)-2-amino-1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 121577277
3,3-Dimethyl-1-(piperazin-1-yl)butan-1-one
CID 16228147
2-Methyl-1-(piperazin-1-yl)butan-1-one
CID 16791156

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-3-methyl-3-piperazin-1-ylbutanamide?
The IUPAC name of N-(3,3-dimethylbutyl)-3-methyl-3-piperazin-1-ylbutanamide (CID 115189208) is N-(3,3-dimethylbutyl)-3-methyl-3-piperazin-1-ylbutanamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-3-methyl-3-piperazin-1-ylbutanamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-3-methyl-3-piperazin-1-ylbutanamide is CC(C)(C)CCNC(=O)CC(C)(C)N1CCNCC1.
What is the InChIKey of N-(3,3-dimethylbutyl)-3-methyl-3-piperazin-1-ylbutanamide?
The InChIKey is VRYUFXTWPKAWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-14(2,3)6-7-17-13(19)12-15(4,5)18-10-8-16-9-11-18/h16H,6-12H2,1-5H3,(H,17,19).
What are the key properties of N-(3,3-dimethylbutyl)-3-methyl-3-piperazin-1-ylbutanamide?
N-(3,3-dimethylbutyl)-3-methyl-3-piperazin-1-ylbutanamide has a molecular weight of 269.43 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-3-methyl-3-piperazin-1-ylbutanamide is sourced from PubChem (CID 115189208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).