(4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone

C19H27NO3 — CID 138002316

IUPAC(4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
SMILESCC(C)O[C@@H]1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1
InChIInChI=1S/C19H27NO3/c1-15(2)23-17-8-11-20(14-17)18(21)19(9-12-22-13-10-19)16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3/t17-/m1/s1
InChIKeyBPKGYBAPKAGWLY-QGZVFWFLSA-N
MW317.43 g/mol
LogP2.76
Rot. Bonds4

About (4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone

(4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone (PubChem CID 138002316) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
PubChem CID138002316
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
SMILESCC(C)O[C@@H]1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1
InChIInChI=1S/C19H27NO3/c1-15(2)23-17-8-11-20(14-17)18(21)19(9-12-22-13-10-19)16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3/t17-/m1/s1
InChIKeyBPKGYBAPKAGWLY-QGZVFWFLSA-N
XLogP2.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 100757035
(4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753527
3-[(3R)-1-(4-phenyloxane-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755061
(1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
CID 136583063
1-(4-phenyloxane-4-carbonyl)piperidine-3-carboxylic acid
CID 119128018
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 103677890
(4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121018084
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 71927745
(2R)-N,N,1-trimethyl-4-(4-phenyloxane-4-carbonyl)piperazine-2-carboxamide
CID 124949534
(1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone
CID 71852474
[2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone
CID 121134836
(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 63394917

Frequently Asked Questions

What is the IUPAC name of (4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone (CID 138002316) is (4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone is CC(C)O[C@@H]1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1.
What is the InChIKey of (4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone?
The InChIKey is BPKGYBAPKAGWLY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27NO3/c1-15(2)23-17-8-11-20(14-17)18(21)19(9-12-22-13-10-19)16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3/t17-/m1/s1.
What are the key properties of (4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone?
(4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone has a molecular weight of 317.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 138002316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).