[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone

C17H29N3O2 — CID 109145589

IUPAC[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
SMILESCN1CCN(C(=O)C2CCC(C(=O)N3CCCC3)CC2)CC1
InChIInChI=1S/C17H29N3O2/c1-18-10-12-20(13-11-18)17(22)15-6-4-14(5-7-15)16(21)19-8-2-3-9-19/h14-15H,2-13H2,1H3
InChIKeyBZKJPORYPPUVRT-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.19
Rot. Bonds2

About [4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone

[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone (PubChem CID 109145589) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is [4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
PubChem CID109145589
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
SMILESCN1CCN(C(=O)C2CCC(C(=O)N3CCCC3)CC2)CC1
InChIInChI=1S/C17H29N3O2/c1-18-10-12-20(13-11-18)17(22)15-6-4-14(5-7-15)16(21)19-8-2-3-9-19/h14-15H,2-13H2,1H3
InChIKeyBZKJPORYPPUVRT-UHFFFAOYSA-N
XLogP1.19
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone
CID 168881895
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
but-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone
CID 170583194
[(2S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 11890050
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 69084155
(4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 174315693
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
aziridin-1-yl(cyclohexyl)methanone
CID 2309619

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone (CID 109145589) is [4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone is CN1CCN(C(=O)C2CCC(C(=O)N3CCCC3)CC2)CC1.
What is the InChIKey of [4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone?
The InChIKey is BZKJPORYPPUVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-18-10-12-20(13-11-18)17(22)15-6-4-14(5-7-15)16(21)19-8-2-3-9-19/h14-15H,2-13H2,1H3.
What are the key properties of [4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone?
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone has a molecular weight of 307.44 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109145589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).