2-[4-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]acetamide

C17H22FN3O2 — CID 97122736

IUPAC2-[4-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(C(=O)N2CC[C@H]2c2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FN3O2/c18-14-3-1-12(2-4-14)15-7-10-21(15)17(23)13-5-8-20(9-6-13)11-16(19)22/h1-4,13,15H,5-11H2,(H2,19,22)/t15-/m0/s1
InChIKeyCRTGFTRHGWKVJU-HNNXBMFYSA-N
MW319.38 g/mol
LogP1.30
Rot. Bonds4

About 2-[4-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]acetamide

2-[4-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]acetamide (PubChem CID 97122736) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-[4-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]acetamide
PubChem CID97122736
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name2-[4-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(C(=O)N2CC[C@H]2c2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FN3O2/c18-14-3-1-12(2-4-14)15-7-10-21(15)17(23)13-5-8-20(9-6-13)11-16(19)22/h1-4,13,15H,5-11H2,(H2,19,22)/t15-/m0/s1
InChIKeyCRTGFTRHGWKVJU-HNNXBMFYSA-N
XLogP1.30
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone
CID 97149488
2-[4-[(5-fluoro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 61311404
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 6467730
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide
CID 97152357
2-(cyclopropylmethylsulfanyl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone
CID 135105038
3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide
CID 95715360
2-[4-[(3S)-3-(4-fluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]acetaldehyde
CID 134497576
1-(2-amino-2-oxoethyl)-N-phenylpiperidine-4-carboxamide
CID 9134210
(2-fluoro-5-hydroxyphenyl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone
CID 137337531

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]acetamide (CID 97122736) is 2-[4-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]acetamide is NC(=O)CN1CCC(C(=O)N2CC[C@H]2c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]acetamide?
The InChIKey is CRTGFTRHGWKVJU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c18-14-3-1-12(2-4-14)15-7-10-21(15)17(23)13-5-8-20(9-6-13)11-16(19)22/h1-4,13,15H,5-11H2,(H2,19,22)/t15-/m0/s1.
What are the key properties of 2-[4-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]acetamide?
2-[4-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]acetamide has a molecular weight of 319.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 97122736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).