(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone

C21H41N5O — CID 166021048

IUPAC(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
SMILESCC(C)N1CCC(CN2CCN(C(=O)N3CCN(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C21H41N5O/c1-18(2)23-7-5-20(6-8-23)17-22-9-11-25(12-10-22)21(27)26-15-13-24(14-16-26)19(3)4/h18-20H,5-17H2,1-4H3
InChIKeyOMOBMADISHFCRJ-UHFFFAOYSA-N
MW379.59 g/mol
LogP1.87
Rot. Bonds4

About (4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone

(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 166021048) has the molecular formula C21H41N5O and a molecular weight of 379.59 g/mol. Its IUPAC name is (4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID166021048
Molecular FormulaC21H41N5O
Molecular Weight379.59 g/mol
Exact Mass379.33
IUPAC Name(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
SMILESCC(C)N1CCC(CN2CCN(C(=O)N3CCN(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C21H41N5O/c1-18(2)23-7-5-20(6-8-23)17-22-9-11-25(12-10-22)21(27)26-15-13-24(14-16-26)19(3)4/h18-20H,5-17H2,1-4H3
InChIKeyOMOBMADISHFCRJ-UHFFFAOYSA-N
XLogP1.87
TPSA33.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.59
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 170617031
1-[4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone
CID 167190623
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
ethane;2-[methyl(propan-2-yl)amino]-1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 167478965
1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine
CID 167125945
1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-2-one
CID 176575948
2-methyl-1-[4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 170613851
2,2,4,4-tetramethyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-one
CID 163269367
N-methyl-N-[3-oxo-3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propyl]acetamide
CID 170620925
(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 90447182
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378
1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 177062108

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone (CID 166021048) is (4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone is CC(C)N1CCC(CN2CCN(C(=O)N3CCN(C(C)C)CC3)CC2)CC1.
What is the InChIKey of (4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is OMOBMADISHFCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N5O/c1-18(2)23-7-5-20(6-8-23)17-22-9-11-25(12-10-22)21(27)26-15-13-24(14-16-26)19(3)4/h18-20H,5-17H2,1-4H3.
What are the key properties of (4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone?
(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 379.59 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 166021048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).