[3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone

C17H26N2O2 — CID 110744037

IUPAC[3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone
SMILESCC(C)OC1CCN(C(=O)c2cccc(N(C)C)c2)CC1
InChIInChI=1S/C17H26N2O2/c1-13(2)21-16-8-10-19(11-9-16)17(20)14-6-5-7-15(12-14)18(3)4/h5-7,12-13,16H,8-11H2,1-4H3
InChIKeyOZKBQNUWTDYJBO-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.78
Rot. Bonds4

About [3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone

[3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone (PubChem CID 110744037) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone
PubChem CID110744037
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone
SMILESCC(C)OC1CCN(C(=O)c2cccc(N(C)C)c2)CC1
InChIInChI=1S/C17H26N2O2/c1-13(2)21-16-8-10-19(11-9-16)17(20)14-6-5-7-15(12-14)18(3)4/h5-7,12-13,16H,8-11H2,1-4H3
InChIKeyOZKBQNUWTDYJBO-UHFFFAOYSA-N
XLogP2.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585104
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 51094004
[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 53489592
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 121022719
[3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590000
[3-(dimethylamino)phenyl]-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 90559348
(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide
CID 110821528
methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate
CID 47340246
[3-(dimethylamino)phenyl]-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 171334095
[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 110365155

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone (CID 110744037) is [3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone is CC(C)OC1CCN(C(=O)c2cccc(N(C)C)c2)CC1.
What is the InChIKey of [3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone?
The InChIKey is OZKBQNUWTDYJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)21-16-8-10-19(11-9-16)17(20)14-6-5-7-15(12-14)18(3)4/h5-7,12-13,16H,8-11H2,1-4H3.
What are the key properties of [3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone?
[3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 110744037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).