(4-tert-butylphenyl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

C22H34N2O2 — CID 39834967

IUPAC(4-tert-butylphenyl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(CCN3CCOCC3)CC2)cc1
InChIInChI=1S/C22H34N2O2/c1-22(2,3)20-6-4-19(5-7-20)21(25)24-12-9-18(10-13-24)8-11-23-14-16-26-17-15-23/h4-7,18H,8-17H2,1-3H3
InChIKeyRBSBWGLAQFCCFV-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.56
Rot. Bonds4

About (4-tert-butylphenyl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

(4-tert-butylphenyl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (PubChem CID 39834967) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
PubChem CID39834967
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name(4-tert-butylphenyl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(CCN3CCOCC3)CC2)cc1
InChIInChI=1S/C22H34N2O2/c1-22(2,3)20-6-4-19(5-7-20)21(25)24-12-9-18(10-13-24)8-11-23-14-16-26-17-15-23/h4-7,18H,8-17H2,1-3H3
InChIKeyRBSBWGLAQFCCFV-UHFFFAOYSA-N
XLogP3.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 136579803
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113073703
(4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 159043850
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 122136096
(4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone
CID 88873532
(5-methyl-1,3,4-thiadiazol-2-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 127850790
1-benzofuran-2-yl-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 49096129
(4-fluoropiperidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone
CID 143379605
3-morpholin-4-yl-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one
CID 110603551
(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073693
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (CID 39834967) is (4-tert-butylphenyl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is CC(C)(C)c1ccc(C(=O)N2CCC(CCN3CCOCC3)CC2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The InChIKey is RBSBWGLAQFCCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-22(2,3)20-6-4-19(5-7-20)21(25)24-12-9-18(10-13-24)8-11-23-14-16-26-17-15-23/h4-7,18H,8-17H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
(4-tert-butylphenyl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone has a molecular weight of 358.53 g/mol, XLogP of 3.56, 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-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 39834967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).