3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one

C22H28N2O3 — CID 32532383

IUPAC3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C)c1ccc(CCC(=O)N2CCN(C(=O)c3ccoc3)CC2)cc1
InChIInChI=1S/C22H28N2O3/c1-22(2,3)19-7-4-17(5-8-19)6-9-20(25)23-11-13-24(14-12-23)21(26)18-10-15-27-16-18/h4-5,7-8,10,15-16H,6,9,11-14H2,1-3H3
InChIKeyZACAQHPNRYARJX-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.49
Rot. Bonds4

About 3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one

3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 32532383) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID32532383
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C)c1ccc(CCC(=O)N2CCN(C(=O)c3ccoc3)CC2)cc1
InChIInChI=1S/C22H28N2O3/c1-22(2,3)19-7-4-17(5-8-19)6-9-20(25)23-11-13-24(14-12-23)21(26)18-10-15-27-16-18/h4-5,7-8,10,15-16H,6,9,11-14H2,1-3H3
InChIKeyZACAQHPNRYARJX-UHFFFAOYSA-N
XLogP3.49
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 108536427
3-(4-tert-butylphenyl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 110721422
1-(4-ethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione
CID 32528448
1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one
CID 134022004
3-(4-tert-butylphenyl)-1-[4-(3-pyrrolidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 110422541
4-[4-(furan-3-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide
CID 22594028
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 39571083
3-(4-tert-butylphenyl)-1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 78850093
[4-[[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 97246065
1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 18121411
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-tert-butylphenyl)propanamide
CID 110626354

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one (CID 32532383) is 3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one is CC(C)(C)c1ccc(CCC(=O)N2CCN(C(=O)c3ccoc3)CC2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is ZACAQHPNRYARJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-22(2,3)19-7-4-17(5-8-19)6-9-20(25)23-11-13-24(14-12-23)21(26)18-10-15-27-16-18/h4-5,7-8,10,15-16H,6,9,11-14H2,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one?
3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 368.48 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 32532383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).