[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C22H33N3O2 — CID 55792197

IUPAC[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)N3CCN(C(C)C)CC3)C2)c1
InChIInChI=1S/C22H33N3O2/c1-16(2)23-8-10-24(11-9-23)21(26)19-6-5-7-25(15-19)22(27)20-13-17(3)12-18(4)14-20/h12-14,16,19H,5-11,15H2,1-4H3
InChIKeyFFQMNLJVPYZVJL-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.71
Rot. Bonds3

About [1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 55792197) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is [1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID55792197
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)N3CCN(C(C)C)CC3)C2)c1
InChIInChI=1S/C22H33N3O2/c1-16(2)23-8-10-24(11-9-23)21(26)19-6-5-7-25(15-19)22(27)20-13-17(3)12-18(4)14-20/h12-14,16,19H,5-11,15H2,1-4H3
InChIKeyFFQMNLJVPYZVJL-UHFFFAOYSA-N
XLogP2.71
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952489
N-cyclopropyl-2-[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]acetamide
CID 55789986
1-(3,5-dimethylbenzoyl)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 46488810
(2S)-1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365375
[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 55791589
methyl (3S)-1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxylate
CID 104853374
[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 55789552
[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-(3-nitrophenyl)piperazin-1-yl]methanone
CID 55794212
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxamide
CID 104851796
[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 55852432
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide
CID 120829554

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 55792197) is [1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is Cc1cc(C)cc(C(=O)N2CCCC(C(=O)N3CCN(C(C)C)CC3)C2)c1.
What is the InChIKey of [1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is FFQMNLJVPYZVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-16(2)23-8-10-24(11-9-23)21(26)19-6-5-7-25(15-19)22(27)20-13-17(3)12-18(4)14-20/h12-14,16,19H,5-11,15H2,1-4H3.
What are the key properties of [1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 371.53 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 55792197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).