N-(2-methylprop-1-enyl)piperazine-1-carboxamide

C9H17N3O — CID 108909767

IUPACN-(2-methylprop-1-enyl)piperazine-1-carboxamide
SMILESCC(C)=CNC(=O)N1CCNCC1
InChIInChI=1S/C9H17N3O/c1-8(2)7-11-9(13)12-5-3-10-4-6-12/h7,10H,3-6H2,1-2H3,(H,11,13)
InChIKeyWNAYMEVMVZGJDK-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.52
Rot. Bonds1

About N-(2-methylprop-1-enyl)piperazine-1-carboxamide

N-(2-methylprop-1-enyl)piperazine-1-carboxamide (PubChem CID 108909767) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(2-methylprop-1-enyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylprop-1-enyl)piperazine-1-carboxamide
PubChem CID108909767
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(2-methylprop-1-enyl)piperazine-1-carboxamide
SMILESCC(C)=CNC(=O)N1CCNCC1
InChIInChI=1S/C9H17N3O/c1-8(2)7-11-9(13)12-5-3-10-4-6-12/h7,10H,3-6H2,1-2H3,(H,11,13)
InChIKeyWNAYMEVMVZGJDK-UHFFFAOYSA-N
XLogP0.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethylpiperazine-1-carboxamide
CID 9207783
ethene;1-piperazin-1-ylethanone
CID 145071339
N-tert-butylpiperazine-1-carboxamide;hydrochloride
CID 67462166
1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 28507184
1-(1,4-diazepan-1-yl)-3-methylbut-2-en-1-one
CID 28881262
N-(cyanomethyl)piperazine-1-carboxamide
CID 108864637
(2R)-2-(piperazine-1-carbonylamino)propanoic acid
CID 78972178
N-[(E)-2-cyclopropylprop-1-enyl]pyrrolidine-1-carboxamide
CID 108915443
(E)-1,4-di(piperazin-1-yl)but-2-ene-1,4-dione
CID 141152573
3-methyl-N-(1-oxo-1-piperazin-1-ylpropan-2-yl)but-2-enamide
CID 82511161
N-(1-methylpyrrol-3-yl)piperazine-1-carboxamide
CID 82283727
N-(2-hydroxycyclopentyl)piperazine-1-carboxamide
CID 77323338

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-1-enyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methylprop-1-enyl)piperazine-1-carboxamide (CID 108909767) is N-(2-methylprop-1-enyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methylprop-1-enyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methylprop-1-enyl)piperazine-1-carboxamide is CC(C)=CNC(=O)N1CCNCC1.
What is the InChIKey of N-(2-methylprop-1-enyl)piperazine-1-carboxamide?
The InChIKey is WNAYMEVMVZGJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8(2)7-11-9(13)12-5-3-10-4-6-12/h7,10H,3-6H2,1-2H3,(H,11,13).
What are the key properties of N-(2-methylprop-1-enyl)piperazine-1-carboxamide?
N-(2-methylprop-1-enyl)piperazine-1-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-1-enyl)piperazine-1-carboxamide is sourced from PubChem (CID 108909767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).