(4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone

C24H32N2O2 — CID 113077721

IUPAC(4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
SMILESCC(C)Oc1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C24H32N2O2/c1-18(2)28-22-12-10-21(11-13-22)25-14-16-26(17-15-25)23(27)19-6-8-20(9-7-19)24(3,4)5/h6-13,18H,14-17H2,1-5H3
InChIKeyXSFKMPINGXMDKX-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.73
Rot. Bonds4

About (4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone

(4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone (PubChem CID 113077721) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
PubChem CID113077721
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
SMILESCC(C)Oc1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C24H32N2O2/c1-18(2)28-22-12-10-21(11-13-22)25-14-16-26(17-15-25)23(27)19-6-8-20(9-7-19)24(3,4)5/h6-13,18H,14-17H2,1-5H3
InChIKeyXSFKMPINGXMDKX-UHFFFAOYSA-N
XLogP4.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077716
1-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)urea
CID 42663789
(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228417
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534667
(2S)-2-(4-tert-butylphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 7428494
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
(4-tert-butylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 2866141
1-[4-(4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805535
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043150
1-(4-propan-2-yloxybenzoyl)piperidine-4-carboxylic acid
CID 17200636
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 121060568
[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 2948091

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone (CID 113077721) is (4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone is CC(C)Oc1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone?
The InChIKey is XSFKMPINGXMDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-18(2)28-22-12-10-21(11-13-22)25-14-16-26(17-15-25)23(27)19-6-8-20(9-7-19)24(3,4)5/h6-13,18H,14-17H2,1-5H3.
What are the key properties of (4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone?
(4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone has a molecular weight of 380.53 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113077721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).