[2-(dimethylamino)phenyl]-[4-(2-methylphenoxy)piperidin-1-yl]methanone

C21H26N2O2 — CID 70772217

IUPAC[2-(dimethylamino)phenyl]-[4-(2-methylphenoxy)piperidin-1-yl]methanone
SMILESCc1ccccc1OC1CCN(C(=O)c2ccccc2N(C)C)CC1
InChIInChI=1S/C21H26N2O2/c1-16-8-4-7-11-20(16)25-17-12-14-23(15-13-17)21(24)18-9-5-6-10-19(18)22(2)3/h4-11,17H,12-15H2,1-3H3
InChIKeyNEULHQFVZYSWMA-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.74
Rot. Bonds4

About [2-(dimethylamino)phenyl]-[4-(2-methylphenoxy)piperidin-1-yl]methanone

[2-(dimethylamino)phenyl]-[4-(2-methylphenoxy)piperidin-1-yl]methanone (PubChem CID 70772217) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is [2-(dimethylamino)phenyl]-[4-(2-methylphenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)phenyl]-[4-(2-methylphenoxy)piperidin-1-yl]methanone
PubChem CID70772217
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name[2-(dimethylamino)phenyl]-[4-(2-methylphenoxy)piperidin-1-yl]methanone
SMILESCc1ccccc1OC1CCN(C(=O)c2ccccc2N(C)C)CC1
InChIInChI=1S/C21H26N2O2/c1-16-8-4-7-11-20(16)25-17-12-14-23(15-13-17)21(24)18-9-5-6-10-19(18)22(2)3/h4-11,17H,12-15H2,1-3H3
InChIKeyNEULHQFVZYSWMA-UHFFFAOYSA-N
XLogP3.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5,7-trimethyl-3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrrolo[3,2-c]pyridin-4-one
CID 155351702
3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 70743583
1-[4-(2-methylphenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 70744445
[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 72865582
(2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 90559517
[4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70771871
[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 70778695
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 110472052
2-(4-methyl-1,4-diazepan-1-yl)-1-[4-(2-methylphenoxy)piperidin-1-yl]ethanone
CID 90650172
1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea
CID 108566970
2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 39203185

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)phenyl]-[4-(2-methylphenoxy)piperidin-1-yl]methanone?
The IUPAC name of [2-(dimethylamino)phenyl]-[4-(2-methylphenoxy)piperidin-1-yl]methanone (CID 70772217) is [2-(dimethylamino)phenyl]-[4-(2-methylphenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)phenyl]-[4-(2-methylphenoxy)piperidin-1-yl]methanone?
The canonical SMILES for [2-(dimethylamino)phenyl]-[4-(2-methylphenoxy)piperidin-1-yl]methanone is Cc1ccccc1OC1CCN(C(=O)c2ccccc2N(C)C)CC1.
What is the InChIKey of [2-(dimethylamino)phenyl]-[4-(2-methylphenoxy)piperidin-1-yl]methanone?
The InChIKey is NEULHQFVZYSWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-8-4-7-11-20(16)25-17-12-14-23(15-13-17)21(24)18-9-5-6-10-19(18)22(2)3/h4-11,17H,12-15H2,1-3H3.
What are the key properties of [2-(dimethylamino)phenyl]-[4-(2-methylphenoxy)piperidin-1-yl]methanone?
[2-(dimethylamino)phenyl]-[4-(2-methylphenoxy)piperidin-1-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)phenyl]-[4-(2-methylphenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 70772217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).