1-cyano-N-(4-methylpiperazin-1-yl)cyclopropane-1-carboxamide

C10H16N4O — CID 83017101

IUPAC1-cyano-N-(4-methylpiperazin-1-yl)cyclopropane-1-carboxamide
SMILESCN1CCN(NC(=O)C2(C#N)CC2)CC1
InChIInChI=1S/C10H16N4O/c1-13-4-6-14(7-5-13)12-9(15)10(8-11)2-3-10/h2-7H2,1H3,(H,12,15)
InChIKeyWAEJQOVMELODDQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.43
Rot. Bonds2

About 1-cyano-N-(4-methylpiperazin-1-yl)cyclopropane-1-carboxamide

1-cyano-N-(4-methylpiperazin-1-yl)cyclopropane-1-carboxamide (PubChem CID 83017101) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-cyano-N-(4-methylpiperazin-1-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(4-methylpiperazin-1-yl)cyclopropane-1-carboxamide
PubChem CID83017101
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-cyano-N-(4-methylpiperazin-1-yl)cyclopropane-1-carboxamide
SMILESCN1CCN(NC(=O)C2(C#N)CC2)CC1
InChIInChI=1S/C10H16N4O/c1-13-4-6-14(7-5-13)12-9(15)10(8-11)2-3-10/h2-7H2,1H3,(H,12,15)
InChIKeyWAEJQOVMELODDQ-UHFFFAOYSA-N
XLogP-0.43
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-piperidin-1-yloxane-4-carboxamide
CID 82843101
1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 80592650
2-cyano-N-(4-methylpiperazin-1-yl)acetamide
CID 3643961
1-[(4-methylpiperazin-1-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 83020742
2-cyano-2-ethyl-N-(4-methylpiperazin-1-yl)butanamide
CID 83015893
1-[(4-methylpiperazin-1-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 83017667
1-hydroxy-3-(4-methylpiperazin-1-yl)urea
CID 23526196
N-(4-methylpiperazin-1-yl)piperidine-1-carboxamide
CID 116657327
(1S,4S)-4,7,7-trimethyl-N-(4-methylpiperazin-1-yl)-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 98144030
1-(aminomethyl)-3-methyl-N-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide
CID 83013697
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294
N-(4-methylpiperazin-1-yl)carbamodithioate
CID 91929834

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(4-methylpiperazin-1-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(4-methylpiperazin-1-yl)cyclopropane-1-carboxamide (CID 83017101) is 1-cyano-N-(4-methylpiperazin-1-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(4-methylpiperazin-1-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(4-methylpiperazin-1-yl)cyclopropane-1-carboxamide is CN1CCN(NC(=O)C2(C#N)CC2)CC1.
What is the InChIKey of 1-cyano-N-(4-methylpiperazin-1-yl)cyclopropane-1-carboxamide?
The InChIKey is WAEJQOVMELODDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13-4-6-14(7-5-13)12-9(15)10(8-11)2-3-10/h2-7H2,1H3,(H,12,15).
What are the key properties of 1-cyano-N-(4-methylpiperazin-1-yl)cyclopropane-1-carboxamide?
1-cyano-N-(4-methylpiperazin-1-yl)cyclopropane-1-carboxamide has a molecular weight of 208.26 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4-methylpiperazin-1-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 83017101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).