[1-(4-fluorophenyl)cyclopropyl]-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]methanone

C19H25FN2O2 — CID 134160566

IUPAC[1-(4-fluorophenyl)cyclopropyl]-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]methanone
SMILESO=C(N1CCCN(C2CCOC2)CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H25FN2O2/c20-16-4-2-15(3-5-16)19(7-8-19)18(23)22-10-1-9-21(11-12-22)17-6-13-24-14-17/h2-5,17H,1,6-14H2
InChIKeyWEVVJQDQMFAYRY-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.18
Rot. Bonds3

About [1-(4-fluorophenyl)cyclopropyl]-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]methanone

[1-(4-fluorophenyl)cyclopropyl]-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 134160566) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopropyl]-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopropyl]-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]methanone
PubChem CID134160566
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name[1-(4-fluorophenyl)cyclopropyl]-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]methanone
SMILESO=C(N1CCCN(C2CCOC2)CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H25FN2O2/c20-16-4-2-15(3-5-16)19(7-8-19)18(23)22-10-1-9-21(11-12-22)17-6-13-24-14-17/h2-5,17H,1,6-14H2
InChIKeyWEVVJQDQMFAYRY-UHFFFAOYSA-N
XLogP2.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500934
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[1-(4-fluorophenyl)cyclopropyl]methanone
CID 71785139
[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
CID 95321275
[1-(4-chlorophenyl)cyclopropyl]-[4-[(3S,4R)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methanone
CID 91839605
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone
CID 71921143
[1-(4-fluorophenyl)cyclopropyl]-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126892183
[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403724
[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 156606158
[1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 103677994
[1-(4-fluorophenyl)cyclopropyl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334418
[1-(4-methoxyphenyl)cyclopropyl]-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91919120
[1-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 97127856

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]methanone (CID 134160566) is [1-(4-fluorophenyl)cyclopropyl]-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopropyl]-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)cyclopropyl]-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]methanone is O=C(N1CCCN(C2CCOC2)CC1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopropyl]-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is WEVVJQDQMFAYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c20-16-4-2-15(3-5-16)19(7-8-19)18(23)22-10-1-9-21(11-12-22)17-6-13-24-14-17/h2-5,17H,1,6-14H2.
What are the key properties of [1-(4-fluorophenyl)cyclopropyl]-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]methanone?
[1-(4-fluorophenyl)cyclopropyl]-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]methanone has a molecular weight of 332.42 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopropyl]-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 134160566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).