4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one

C22H32N2O3 — CID 110620002

IUPAC4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one
SMILESCC(C)C(CC(=O)N1CCC(C(=O)N2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C22H32N2O3/c1-17(2)20(18-6-4-3-5-7-18)16-21(25)23-10-8-19(9-11-23)22(26)24-12-14-27-15-13-24/h3-7,17,19-20H,8-16H2,1-2H3
InChIKeyOKHUWXKPVVIWDO-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.91
Rot. Bonds5

About 4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one

4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one (PubChem CID 110620002) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one.

Molecular Properties

Compound Name4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one
PubChem CID110620002
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one
SMILESCC(C)C(CC(=O)N1CCC(C(=O)N2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C22H32N2O3/c1-17(2)20(18-6-4-3-5-7-18)16-21(25)23-10-8-19(9-11-23)22(26)24-12-14-27-15-13-24/h3-7,17,19-20H,8-16H2,1-2H3
InChIKeyOKHUWXKPVVIWDO-UHFFFAOYSA-N
XLogP2.91
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119687542
4-methyl-1-[4-(methylamino)piperidin-1-yl]-3-phenylpentan-1-one;hydrochloride
CID 119560060
3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110425924
(3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one
CID 951243
(E)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpent-2-en-1-one
CID 110619017
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110425931
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110604424
4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid
CID 82133442
morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone
CID 166901168
1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 99850189
1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-3-phenylbutan-1-one
CID 46449744
2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 72849565

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one?
The IUPAC name of 4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one (CID 110620002) is 4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one.
What is the SMILES notation for 4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one?
The canonical SMILES for 4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one is CC(C)C(CC(=O)N1CCC(C(=O)N2CCOCC2)CC1)c1ccccc1.
What is the InChIKey of 4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one?
The InChIKey is OKHUWXKPVVIWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-17(2)20(18-6-4-3-5-7-18)16-21(25)23-10-8-19(9-11-23)22(26)24-12-14-27-15-13-24/h3-7,17,19-20H,8-16H2,1-2H3.
What are the key properties of 4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one?
4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one has a molecular weight of 372.51 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one is sourced from PubChem (CID 110620002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).