4-(4-tert-butylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one

C24H38N2O2 — CID 110353819

IUPAC4-(4-tert-butylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
SMILESCC(C)(C)c1ccc(CCCC(=O)N2CCC(CN3CCOCC3)CC2)cc1
InChIInChI=1S/C24H38N2O2/c1-24(2,3)22-9-7-20(8-10-22)5-4-6-23(27)26-13-11-21(12-14-26)19-25-15-17-28-18-16-25/h7-10,21H,4-6,11-19H2,1-3H3
InChIKeyDSKNVZQPYLEKMY-UHFFFAOYSA-N
MW386.58 g/mol
LogP3.88
Rot. Bonds6

About 4-(4-tert-butylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one

4-(4-tert-butylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one (PubChem CID 110353819) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
PubChem CID110353819
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Name4-(4-tert-butylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
SMILESCC(C)(C)c1ccc(CCCC(=O)N2CCC(CN3CCOCC3)CC2)cc1
InChIInChI=1S/C24H38N2O2/c1-24(2,3)22-9-7-20(8-10-22)5-4-6-23(27)26-13-11-21(12-14-26)19-25-15-17-28-18-16-25/h7-10,21H,4-6,11-19H2,1-3H3
InChIKeyDSKNVZQPYLEKMY-UHFFFAOYSA-N
XLogP3.88
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110624580
1-(4-aminopiperidin-1-yl)-5-(4-tert-butylphenyl)pentan-1-one
CID 119374228
3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one
CID 110304853
4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 87018945
1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 55845373
1-[3-(aminomethyl)pyrrolidin-1-yl]-5-(4-tert-butylphenyl)pentan-1-one;hydrochloride
CID 119484639
7-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]heptan-1-one
CID 119851740
1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione
CID 110304886
3-(4-tert-butylphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119543706
1-(4-methylphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butane-1,4-dione
CID 110304847
3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 54876000
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-(4-tert-butylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one (CID 110353819) is 4-(4-tert-butylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(4-tert-butylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-(4-tert-butylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one is CC(C)(C)c1ccc(CCCC(=O)N2CCC(CN3CCOCC3)CC2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
The InChIKey is DSKNVZQPYLEKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O2/c1-24(2,3)22-9-7-20(8-10-22)5-4-6-23(27)26-13-11-21(12-14-26)19-25-15-17-28-18-16-25/h7-10,21H,4-6,11-19H2,1-3H3.
What are the key properties of 4-(4-tert-butylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
4-(4-tert-butylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one has a molecular weight of 386.58 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 110353819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).