N-(4-methylpiperazin-4-ium-1-yl)cyclopentanecarboxamide

C11H22N3O+ — CID 4744600

IUPACN-(4-methylpiperazin-4-ium-1-yl)cyclopentanecarboxamide
SMILESC[NH+]1CCN(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C11H21N3O/c1-13-6-8-14(9-7-13)12-11(15)10-4-2-3-5-10/h10H,2-9H2,1H3,(H,12,15)/p+1
InChIKeyGWKHHDIMIQTFON-UHFFFAOYSA-O
MW212.32 g/mol
LogP-0.96
Rot. Bonds2

About N-(4-methylpiperazin-4-ium-1-yl)cyclopentanecarboxamide

N-(4-methylpiperazin-4-ium-1-yl)cyclopentanecarboxamide (PubChem CID 4744600) has the molecular formula C11H22N3O+ and a molecular weight of 212.32 g/mol. Its IUPAC name is N-(4-methylpiperazin-4-ium-1-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-4-ium-1-yl)cyclopentanecarboxamide
PubChem CID4744600
Molecular FormulaC11H22N3O+
Molecular Weight212.32 g/mol
Exact Mass212.18
IUPAC NameN-(4-methylpiperazin-4-ium-1-yl)cyclopentanecarboxamide
SMILESC[NH+]1CCN(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C11H21N3O/c1-13-6-8-14(9-7-13)12-11(15)10-4-2-3-5-10/h10H,2-9H2,1H3,(H,12,15)/p+1
InChIKeyGWKHHDIMIQTFON-UHFFFAOYSA-O
XLogP-0.96
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-piperidin-1-ylcyclohexanecarboxamide
CID 17164620
(3S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-4-ium-1-yl)piperidine-3-carboxamide
CID 9205971
(3R)-N-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9075254
N-piperidin-1-ylpiperidine-4-carboxamide
CID 770166
N'-hydroxycyclohexanecarbohydrazide
CID 151692012
N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]cyclobutanecarboxamide
CID 2680095
[4-(piperidin-1-ylcarbamoyl)cyclohexyl] nitrate
CID 67830371
4-amino-2-methyl-N-piperidin-1-ylcyclohexane-1-carboxamide
CID 83024606
tert-butyl 3-[(4-methylpiperazin-1-yl)carbamoyl]piperidine-1-carboxylate
CID 84556160
1-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea
CID 7477694
N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide
CID 71792542
2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide
CID 9204698

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-4-ium-1-yl)cyclopentanecarboxamide?
The IUPAC name of N-(4-methylpiperazin-4-ium-1-yl)cyclopentanecarboxamide (CID 4744600) is N-(4-methylpiperazin-4-ium-1-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(4-methylpiperazin-4-ium-1-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(4-methylpiperazin-4-ium-1-yl)cyclopentanecarboxamide is C[NH+]1CCN(NC(=O)C2CCCC2)CC1.
What is the InChIKey of N-(4-methylpiperazin-4-ium-1-yl)cyclopentanecarboxamide?
The InChIKey is GWKHHDIMIQTFON-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H21N3O/c1-13-6-8-14(9-7-13)12-11(15)10-4-2-3-5-10/h10H,2-9H2,1H3,(H,12,15)/p+1.
What are the key properties of N-(4-methylpiperazin-4-ium-1-yl)cyclopentanecarboxamide?
N-(4-methylpiperazin-4-ium-1-yl)cyclopentanecarboxamide has a molecular weight of 212.32 g/mol, XLogP of -0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-4-ium-1-yl)cyclopentanecarboxamide is sourced from PubChem (CID 4744600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).