[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone

C19H28N2O2 — CID 71927745

IUPAC[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESCC1CN(C(=O)C2(c3ccccc3)CCOCC2)CC1N(C)C
InChIInChI=1S/C19H28N2O2/c1-15-13-21(14-17(15)20(2)3)18(22)19(9-11-23-12-10-19)16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3
InChIKeyLYVQQNOZMLTGGT-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.14
Rot. Bonds3

About [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone

[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone (PubChem CID 71927745) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
PubChem CID71927745
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESCC1CN(C(=O)C2(c3ccccc3)CCOCC2)CC1N(C)C
InChIInChI=1S/C19H28N2O2/c1-15-13-21(14-17(15)20(2)3)18(22)19(9-11-23-12-10-19)16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3
InChIKeyLYVQQNOZMLTGGT-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone
CID 71927956
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 154749248
(2R)-N,N,1-trimethyl-4-(4-phenyloxane-4-carbonyl)piperazine-2-carboxamide
CID 124949534
(4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
CID 138002316
4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide
CID 81464935
(3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone
CID 75537654
1-(4-phenyloxane-4-carbonyl)piperidine-3-carboxylic acid
CID 119128018
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-phenylcyclopropyl)methanone
CID 102937638
[2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone
CID 121134836
[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1-phenylcyclopropyl)methanone
CID 91915827
(4-bromo-3-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 114683504
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-phenyloxan-4-yl)methanone
CID 71785131

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone?
The IUPAC name of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone (CID 71927745) is [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone?
The canonical SMILES for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone is CC1CN(C(=O)C2(c3ccccc3)CCOCC2)CC1N(C)C.
What is the InChIKey of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone?
The InChIKey is LYVQQNOZMLTGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15-13-21(14-17(15)20(2)3)18(22)19(9-11-23-12-10-19)16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3.
What are the key properties of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone?
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone has a molecular weight of 316.44 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone is sourced from PubChem (CID 71927745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).