N-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide

C12H23N3O2 — CID 23963068

IUPACN-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide
SMILESCCC(=O)N1CCN(C(=O)NCC(C)C)CC1
InChIInChI=1S/C12H23N3O2/c1-4-11(16)14-5-7-15(8-6-14)12(17)13-9-10(2)3/h10H,4-9H2,1-3H3,(H,13,17)
InChIKeyFAGXCIHOBINKFU-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.91
Rot. Bonds3

About N-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide

N-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide (PubChem CID 23963068) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide
PubChem CID23963068
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide
SMILESCCC(=O)N1CCN(C(=O)NCC(C)C)CC1
InChIInChI=1S/C12H23N3O2/c1-4-11(16)14-5-7-15(8-6-14)12(17)13-9-10(2)3/h10H,4-9H2,1-3H3,(H,13,17)
InChIKeyFAGXCIHOBINKFU-UHFFFAOYSA-N
XLogP0.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-4-pentylpiperazine-1-carboxamide
CID 113104066
4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104075
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 158896356
4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 108867265
N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113104079
3,3,4,4-tetrafluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 128659331
3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 164555892
3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]butanamide
CID 24719482
4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104047

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide?
The IUPAC name of N-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide (CID 23963068) is N-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide is CCC(=O)N1CCN(C(=O)NCC(C)C)CC1.
What is the InChIKey of N-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide?
The InChIKey is FAGXCIHOBINKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-11(16)14-5-7-15(8-6-14)12(17)13-9-10(2)3/h10H,4-9H2,1-3H3,(H,13,17).
What are the key properties of N-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide?
N-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide is sourced from PubChem (CID 23963068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).