N-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide

C12H24N4O2 — CID 43162386

IUPACN-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide
SMILESCC(C)CCNC(=O)NC(=O)CN1CCNCC1
InChIInChI=1S/C12H24N4O2/c1-10(2)3-4-14-12(18)15-11(17)9-16-7-5-13-6-8-16/h10,13H,3-9H2,1-2H3,(H2,14,15,17,18)
InChIKeyYERIRBYVOZFYLB-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.24
Rot. Bonds5

About N-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide

N-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide (PubChem CID 43162386) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide
PubChem CID43162386
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide
SMILESCC(C)CCNC(=O)NC(=O)CN1CCNCC1
InChIInChI=1S/C12H24N4O2/c1-10(2)3-4-14-12(18)15-11(17)9-16-7-5-13-6-8-16/h10,13H,3-9H2,1-2H3,(H2,14,15,17,18)
InChIKeyYERIRBYVOZFYLB-UHFFFAOYSA-N
XLogP-0.24
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 106672699
N-(3-methylbutylcarbamoyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704951
2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride
CID 119906348
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 63595188
2-[1-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684137
2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide
CID 62839599
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 115648180
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 8591460
2-(4-amino-3-ethylpiperidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 81451805
N-acetyl-2-piperazin-1-ylacetamide
CID 67050352
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 62356143
N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62839250

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide (CID 43162386) is N-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide is CC(C)CCNC(=O)NC(=O)CN1CCNCC1.
What is the InChIKey of N-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide?
The InChIKey is YERIRBYVOZFYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-10(2)3-4-14-12(18)15-11(17)9-16-7-5-13-6-8-16/h10,13H,3-9H2,1-2H3,(H2,14,15,17,18).
What are the key properties of N-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide?
N-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide has a molecular weight of 256.35 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 43162386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).