1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone

C20H30N2O2 — CID 67401317

IUPAC1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone
SMILESCC(C)c1cccc(C2CCN(CC(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C20H30N2O2/c1-16(2)18-4-3-5-19(14-18)17-6-8-21(9-7-17)15-20(23)22-10-12-24-13-11-22/h3-5,14,16-17H,6-13,15H2,1-2H3
InChIKeyWACGPTWBBLJTQV-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.85
Rot. Bonds4

About 1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone

1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone (PubChem CID 67401317) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone
PubChem CID67401317
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone
SMILESCC(C)c1cccc(C2CCN(CC(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C20H30N2O2/c1-16(2)18-4-3-5-19(14-18)17-6-8-21(9-7-17)15-20(23)22-10-12-24-13-11-22/h3-5,14,16-17H,6-13,15H2,1-2H3
InChIKeyWACGPTWBBLJTQV-UHFFFAOYSA-N
XLogP2.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide
CID 72758726
2,2,2-trifluoro-1-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone
CID 87872491
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 56827835
2-[4-(2-methylpropyl)piperidin-1-yl]-1-morpholin-4-ylethanone
CID 145317208
2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid
CID 79981052
2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone
CID 141171395
1-[2,5-di(propan-2-yl)phenyl]-2-morpholin-4-ylethanone;hydrochloride
CID 53422269
2-[4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 58826194
1-piperidin-1-yl-2-[4-(3-propan-2-ylphenyl)piperidin-2-yl]ethanone
CID 173069596
(3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone
CID 174517475
3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119840042
2-[4-(methylamino)piperidin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 119923636

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone (CID 67401317) is 1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone is CC(C)c1cccc(C2CCN(CC(=O)N3CCOCC3)CC2)c1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone?
The InChIKey is WACGPTWBBLJTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16(2)18-4-3-5-19(14-18)17-6-8-21(9-7-17)15-20(23)22-10-12-24-13-11-22/h3-5,14,16-17H,6-13,15H2,1-2H3.
What are the key properties of 1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone?
1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone has a molecular weight of 330.47 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 67401317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).