morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone

C19H28N2O2 — CID 166901168

IUPACmorpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone
SMILESCC(C)c1ccc(N2CCC(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C19H28N2O2/c1-15(2)16-3-5-18(6-4-16)20-9-7-17(8-10-20)19(22)21-11-13-23-14-12-21/h3-6,15,17H,7-14H2,1-2H3
InChIKeyVCUNXSGFYPGEJZ-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.89
Rot. Bonds3

About morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone

morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone (PubChem CID 166901168) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone
PubChem CID166901168
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Namemorpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone
SMILESCC(C)c1ccc(N2CCC(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C19H28N2O2/c1-15(2)16-3-5-18(6-4-16)20-9-7-17(8-10-20)19(22)21-11-13-23-14-12-21/h3-6,15,17H,7-14H2,1-2H3
InChIKeyVCUNXSGFYPGEJZ-UHFFFAOYSA-N
XLogP2.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[1-(2-hydroxy-4-propan-2-ylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 47051901
(3-methylcyclobutyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 177267388
(4S)-4-(1,4-oxazepane-4-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 97149949
[1-(3-methoxyphenyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 11573068
[4-(4-aminophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 62905278
2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 120666722
azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 55408103
4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one
CID 110620002
3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119687542
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
[1-(2-methylpropyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 883920
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone (CID 166901168) is morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone is CC(C)c1ccc(N2CCC(C(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone?
The InChIKey is VCUNXSGFYPGEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15(2)16-3-5-18(6-4-16)20-9-7-17(8-10-20)19(22)21-11-13-23-14-12-21/h3-6,15,17H,7-14H2,1-2H3.
What are the key properties of morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone?
morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone has a molecular weight of 316.44 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone is sourced from PubChem (CID 166901168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).