(4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone

C21H31N3O2 — CID 130315888

IUPAC(4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
SMILESCC(C)c1ccc(C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1
InChIInChI=1S/C21H31N3O2/c1-16(2)17-4-6-18(7-5-17)20(25)23-10-8-19(9-11-23)21(26)24-14-12-22(3)13-15-24/h4-7,16,19H,8-15H2,1-3H3
InChIKeyJWTOFXMCQOJTGH-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.44
Rot. Bonds3

About (4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone

(4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone (PubChem CID 130315888) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
PubChem CID130315888
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name(4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
SMILESCC(C)c1ccc(C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1
InChIInChI=1S/C21H31N3O2/c1-16(2)17-4-6-18(7-5-17)20(25)23-10-8-19(9-11-23)21(26)24-14-12-22(3)13-15-24/h4-7,16,19H,8-15H2,1-3H3
InChIKeyJWTOFXMCQOJTGH-UHFFFAOYSA-N
XLogP2.44
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 55408103
N,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 55683412
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 118775973
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006809
[(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 176746595
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 49348928
1-(4-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethane-1,2-dione
CID 94283329
(4-propan-2-ylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 18228909
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone
CID 110366829

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone (CID 130315888) is (4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone is CC(C)c1ccc(C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone?
The InChIKey is JWTOFXMCQOJTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-16(2)17-4-6-18(7-5-17)20(25)23-10-8-19(9-11-23)21(26)24-14-12-22(3)13-15-24/h4-7,16,19H,8-15H2,1-3H3.
What are the key properties of (4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone?
(4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone has a molecular weight of 357.50 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 130315888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).