1-(2-cyclopropylpropanoyl)-N-methylpiperazine-2-carboxamide

C12H21N3O2 — CID 83149686

IUPAC1-(2-cyclopropylpropanoyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(=O)C(C)C1CC1
InChIInChI=1S/C12H21N3O2/c1-8(9-3-4-9)12(17)15-6-5-14-7-10(15)11(16)13-2/h8-10,14H,3-7H2,1-2H3,(H,13,16)
InChIKeyNJXLXKBYUKKEOC-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.42
Rot. Bonds3

About 1-(2-cyclopropylpropanoyl)-N-methylpiperazine-2-carboxamide

1-(2-cyclopropylpropanoyl)-N-methylpiperazine-2-carboxamide (PubChem CID 83149686) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(2-cyclopropylpropanoyl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(2-cyclopropylpropanoyl)-N-methylpiperazine-2-carboxamide
PubChem CID83149686
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-(2-cyclopropylpropanoyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(=O)C(C)C1CC1
InChIInChI=1S/C12H21N3O2/c1-8(9-3-4-9)12(17)15-6-5-14-7-10(15)11(16)13-2/h8-10,14H,3-7H2,1-2H3,(H,13,16)
InChIKeyNJXLXKBYUKKEOC-UHFFFAOYSA-N
XLogP-0.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride
CID 171688200
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CID 79162942
N-methyl-1-(piperidine-1-carbonyl)piperazine-2-carboxamide
CID 79155470
N-methyl-1-(5-oxopyrrolidine-3-carbonyl)piperazine-2-carboxamide
CID 83193491
N-methyl-1-[1-(oxolan-3-yl)ethyl]piperazine-2-carboxamide
CID 113483594
N-methyl-1-[(2R)-oxolane-2-carbonyl]piperazine-2-carboxamide
CID 104856345
(2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 124513939
N-methyl-1-(3-methylcyclobutyl)piperazine-2-carboxamide
CID 103563766
1-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-methylpiperazine-2-carboxamide
CID 83268512
1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107973359
(2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide
CID 124513931
N-methyl-1-(3-phenylprop-2-enoyl)piperazine-2-carboxamide
CID 77102017

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpropanoyl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of 1-(2-cyclopropylpropanoyl)-N-methylpiperazine-2-carboxamide (CID 83149686) is 1-(2-cyclopropylpropanoyl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(2-cyclopropylpropanoyl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-(2-cyclopropylpropanoyl)-N-methylpiperazine-2-carboxamide is CNC(=O)C1CNCCN1C(=O)C(C)C1CC1.
What is the InChIKey of 1-(2-cyclopropylpropanoyl)-N-methylpiperazine-2-carboxamide?
The InChIKey is NJXLXKBYUKKEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(9-3-4-9)12(17)15-6-5-14-7-10(15)11(16)13-2/h8-10,14H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 1-(2-cyclopropylpropanoyl)-N-methylpiperazine-2-carboxamide?
1-(2-cyclopropylpropanoyl)-N-methylpiperazine-2-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpropanoyl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 83149686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).