cyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]methanone

C17H26N4O — CID 154828822

IUPACcyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]methanone
SMILESCn1nc2c(c1CN1CCN(C(=O)C3CC3)CC1)CCCC2
InChIInChI=1S/C17H26N4O/c1-19-16(14-4-2-3-5-15(14)18-19)12-20-8-10-21(11-9-20)17(22)13-6-7-13/h13H,2-12H2,1H3
InChIKeyFLQFSIKJYPSVTI-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.35
Rot. Bonds3

About cyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]methanone

cyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]methanone (PubChem CID 154828822) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is cyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]methanone
PubChem CID154828822
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Namecyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]methanone
SMILESCn1nc2c(c1CN1CCN(C(=O)C3CC3)CC1)CCCC2
InChIInChI=1S/C17H26N4O/c1-19-16(14-4-2-3-5-15(14)18-19)12-20-8-10-21(11-9-20)17(22)13-6-7-13/h13H,2-12H2,1H3
InChIKeyFLQFSIKJYPSVTI-UHFFFAOYSA-N
XLogP1.35
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915161
cyclopropyl-[4-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]methanone
CID 166189559
6-cyclopropyl-2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865563
2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 134802162
2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126925034
3-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942888
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
5-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-1H-pyridin-2-one
CID 110730655
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one
CID 82126762
2-[2-[4-(1,1-dioxothiolane-3-carbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914808
cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308401

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]methanone (CID 154828822) is cyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]methanone is Cn1nc2c(c1CN1CCN(C(=O)C3CC3)CC1)CCCC2.
What is the InChIKey of cyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is FLQFSIKJYPSVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-19-16(14-4-2-3-5-15(14)18-19)12-20-8-10-21(11-9-20)17(22)13-6-7-13/h13H,2-12H2,1H3.
What are the key properties of cyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 154828822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).