(1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone

C19H20N2O2 — CID 71852474

IUPAC(1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone
SMILESO=C(N1CCC(Oc2ccncc2)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C19H20N2O2/c22-18(19(9-10-19)15-4-2-1-3-5-15)21-13-8-17(14-21)23-16-6-11-20-12-7-16/h1-7,11-12,17H,8-10,13-14H2
InChIKeyFMXQDNKLWCFTDV-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.79
Rot. Bonds4

About (1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone

(1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone (PubChem CID 71852474) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone
PubChem CID71852474
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone
SMILESO=C(N1CCC(Oc2ccncc2)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C19H20N2O2/c22-18(19(9-10-19)15-4-2-1-3-5-15)21-13-8-17(14-21)23-16-6-11-20-12-7-16/h1-7,11-12,17H,8-10,13-14H2
InChIKeyFMXQDNKLWCFTDV-UHFFFAOYSA-N
XLogP2.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 72939906
(1-phenylcyclopropyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 154583941
[(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
2-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone
CID 119043365
(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 63394917
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419
2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one
CID 124568628
[(3S)-3-aminopyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119934201
naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124878377
methyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate
CID 78968034

Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of (1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone (CID 71852474) is (1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for (1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone is O=C(N1CCC(Oc2ccncc2)C1)C1(c2ccccc2)CC1.
What is the InChIKey of (1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone?
The InChIKey is FMXQDNKLWCFTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-18(19(9-10-19)15-4-2-1-3-5-15)21-13-8-17(14-21)23-16-6-11-20-12-7-16/h1-7,11-12,17H,8-10,13-14H2.
What are the key properties of (1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone?
(1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone has a molecular weight of 308.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 71852474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).