1-[4-(4-methylphenoxy)piperidin-1-yl]-3-(1-methylpiperidin-3-yl)propan-1-one

C21H32N2O2 — CID 72883560

IUPAC1-[4-(4-methylphenoxy)piperidin-1-yl]-3-(1-methylpiperidin-3-yl)propan-1-one
SMILESCc1ccc(OC2CCN(C(=O)CCC3CCCN(C)C3)CC2)cc1
InChIInChI=1S/C21H32N2O2/c1-17-5-8-19(9-6-17)25-20-11-14-23(15-12-20)21(24)10-7-18-4-3-13-22(2)16-18/h5-6,8-9,18,20H,3-4,7,10-16H2,1-2H3
InChIKeyLICKRRUXBVRVHJ-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.49
Rot. Bonds5

About 1-[4-(4-methylphenoxy)piperidin-1-yl]-3-(1-methylpiperidin-3-yl)propan-1-one

1-[4-(4-methylphenoxy)piperidin-1-yl]-3-(1-methylpiperidin-3-yl)propan-1-one (PubChem CID 72883560) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-[4-(4-methylphenoxy)piperidin-1-yl]-3-(1-methylpiperidin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-methylphenoxy)piperidin-1-yl]-3-(1-methylpiperidin-3-yl)propan-1-one
PubChem CID72883560
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-[4-(4-methylphenoxy)piperidin-1-yl]-3-(1-methylpiperidin-3-yl)propan-1-one
SMILESCc1ccc(OC2CCN(C(=O)CCC3CCCN(C)C3)CC2)cc1
InChIInChI=1S/C21H32N2O2/c1-17-5-8-19(9-6-17)25-20-11-14-23(15-12-20)21(24)10-7-18-4-3-13-22(2)16-18/h5-6,8-9,18,20H,3-4,7,10-16H2,1-2H3
InChIKeyLICKRRUXBVRVHJ-UHFFFAOYSA-N
XLogP3.49
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-methylphenoxy)piperidin-1-yl]-3-(1-methylpiperidin-3-yl)propan-1-one with MolForge

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Related Compounds

4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119292107
2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 110397075
3-(2-aminophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 120609194
(3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 95056824
(3S)-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-methylsulfanylbutan-1-one
CID 124569340
(1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 119292106
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
3-cyclopropyl-1-[4-[4-(1-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]propan-1-one
CID 153119674
ethyl 3-[(3R)-1-methylpiperidin-3-yl]propanoate
CID 59958651
3-(4-methylphenoxy)piperidine-1-carboxylic acid
CID 175309673
3-[(3R)-1-methylpiperidin-3-yl]-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 97189893
3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one
CID 122255705

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenoxy)piperidin-1-yl]-3-(1-methylpiperidin-3-yl)propan-1-one?
The IUPAC name of 1-[4-(4-methylphenoxy)piperidin-1-yl]-3-(1-methylpiperidin-3-yl)propan-1-one (CID 72883560) is 1-[4-(4-methylphenoxy)piperidin-1-yl]-3-(1-methylpiperidin-3-yl)propan-1-one.
What is the SMILES notation for 1-[4-(4-methylphenoxy)piperidin-1-yl]-3-(1-methylpiperidin-3-yl)propan-1-one?
The canonical SMILES for 1-[4-(4-methylphenoxy)piperidin-1-yl]-3-(1-methylpiperidin-3-yl)propan-1-one is Cc1ccc(OC2CCN(C(=O)CCC3CCCN(C)C3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methylphenoxy)piperidin-1-yl]-3-(1-methylpiperidin-3-yl)propan-1-one?
The InChIKey is LICKRRUXBVRVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-17-5-8-19(9-6-17)25-20-11-14-23(15-12-20)21(24)10-7-18-4-3-13-22(2)16-18/h5-6,8-9,18,20H,3-4,7,10-16H2,1-2H3.
What are the key properties of 1-[4-(4-methylphenoxy)piperidin-1-yl]-3-(1-methylpiperidin-3-yl)propan-1-one?
1-[4-(4-methylphenoxy)piperidin-1-yl]-3-(1-methylpiperidin-3-yl)propan-1-one has a molecular weight of 344.50 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenoxy)piperidin-1-yl]-3-(1-methylpiperidin-3-yl)propan-1-one is sourced from PubChem (CID 72883560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).