[2-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]propyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone

C20H34N4O3 — CID 135196273

IUPAC[2-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]propyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
SMILESCC(CC1CC1C(=O)N1CCN(C)CC1)N1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C20H34N4O3/c1-15(22-9-11-24(12-10-22)19(26)20(27)3-4-20)13-16-14-17(16)18(25)23-7-5-21(2)6-8-23/h15-17,27H,3-14H2,1-2H3
InChIKeyZBILDJWPKOUYFJ-UHFFFAOYSA-N
MW378.52 g/mol
LogP-0.16
Rot. Bonds5

About [2-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]propyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone

[2-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]propyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 135196273) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is [2-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]propyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]propyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID135196273
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC Name[2-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]propyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
SMILESCC(CC1CC1C(=O)N1CCN(C)CC1)N1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C20H34N4O3/c1-15(22-9-11-24(12-10-22)19(26)20(27)3-4-20)13-16-14-17(16)18(25)23-7-5-21(2)6-8-23/h15-17,27H,3-14H2,1-2H3
InChIKeyZBILDJWPKOUYFJ-UHFFFAOYSA-N
XLogP-0.16
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]propyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(2-aminocyclopropyl)-(4-methylpiperazin-1-yl)methanone
CID 82234715
1-[4-[2-(4-methylpiperazin-1-yl)propyl]piperidin-1-yl]ethanone
CID 173117441
(4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone
CID 58584463
(1-ethylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
CID 130161826
(3-hydroxyoxolan-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 170181625
4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbaldehyde
CID 141433309
(1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 127916022
(4-methylpiperazin-1-yl)-(2-methyl-3-propan-2-ylcyclopropyl)methanone
CID 164726814
(3-amino-2-methylcyclohexyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62783543
(1-hydroxycyclobutyl)-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
CID 136532653
[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-6-yl)-2-methoxycyclohexyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 153420784
1,2,2-trimethyl-3-(4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 3151272

Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]propyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]propyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone (CID 135196273) is [2-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]propyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]propyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]propyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone is CC(CC1CC1C(=O)N1CCN(C)CC1)N1CCN(C(=O)C2(O)CC2)CC1.
What is the InChIKey of [2-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]propyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ZBILDJWPKOUYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-15(22-9-11-24(12-10-22)19(26)20(27)3-4-20)13-16-14-17(16)18(25)23-7-5-21(2)6-8-23/h15-17,27H,3-14H2,1-2H3.
What are the key properties of [2-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]propyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
[2-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]propyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 378.52 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]propyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 135196273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).