cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone

C19H23FN2O2 — CID 97149488

IUPACcyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(C(=O)N2CC[C@@H]2c2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN2O2/c20-16-5-3-13(4-6-16)17-9-12-22(17)19(24)15-7-10-21(11-8-15)18(23)14-1-2-14/h3-6,14-15,17H,1-2,7-12H2/t17-/m1/s1
InChIKeyMSMBAYUZKDDQEW-QGZVFWFLSA-N
MW330.40 g/mol
LogP2.75
Rot. Bonds3

About cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone

cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone (PubChem CID 97149488) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone
PubChem CID97149488
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Namecyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(C(=O)N2CC[C@@H]2c2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN2O2/c20-16-5-3-13(4-6-16)17-9-12-22(17)19(24)15-7-10-21(11-8-15)18(23)14-1-2-14/h3-6,14-15,17H,1-2,7-12H2/t17-/m1/s1
InChIKeyMSMBAYUZKDDQEW-QGZVFWFLSA-N
XLogP2.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97122736
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
2-[4-[(2S)-2-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97142895
1-[2-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 97128985
[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 95729352
1-[4-[3-(4-fluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one
CID 174882514
N-(4-fluorophenyl)-2-phenylazetidine-1-carboxamide
CID 47034423
cyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone
CID 97206838
[2-(4-fluorophenyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120637114
2-(cyclopropylmethylsulfanyl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone
CID 135105038
[3-(4-fluorophenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110663861
1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 134035144

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone (CID 97149488) is cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(C(=O)N2CC[C@@H]2c2ccc(F)cc2)CC1.
What is the InChIKey of cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone?
The InChIKey is MSMBAYUZKDDQEW-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23FN2O2/c20-16-5-3-13(4-6-16)17-9-12-22(17)19(24)15-7-10-21(11-8-15)18(23)14-1-2-14/h3-6,14-15,17H,1-2,7-12H2/t17-/m1/s1.
What are the key properties of cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone?
cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone has a molecular weight of 330.40 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone is sourced from PubChem (CID 97149488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).