(2Z)-2-[1-[(2-fluorophenyl)methyl]-4-nitrosopiperidin-3-ylidene]acetic acid

C14H15FN2O3 — CID 170553018

IUPAC(2Z)-2-[1-[(2-fluorophenyl)methyl]-4-nitrosopiperidin-3-ylidene]acetic acid
SMILESO=NC1CCN(Cc2ccccc2F)C/C1=C/C(=O)O
InChIInChI=1S/C14H15FN2O3/c15-12-4-2-1-3-10(12)8-17-6-5-13(16-20)11(9-17)7-14(18)19/h1-4,7,13H,5-6,8-9H2,(H,18,19)/b11-7-
InChIKeyICGDPACOQBPUSK-XFFZJAGNSA-N
MW278.28 g/mol
LogP2.18
Rot. Bonds4

About (2Z)-2-[1-[(2-fluorophenyl)methyl]-4-nitrosopiperidin-3-ylidene]acetic acid

(2Z)-2-[1-[(2-fluorophenyl)methyl]-4-nitrosopiperidin-3-ylidene]acetic acid (PubChem CID 170553018) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is (2Z)-2-[1-[(2-fluorophenyl)methyl]-4-nitrosopiperidin-3-ylidene]acetic acid.

Molecular Properties

Compound Name(2Z)-2-[1-[(2-fluorophenyl)methyl]-4-nitrosopiperidin-3-ylidene]acetic acid
PubChem CID170553018
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name(2Z)-2-[1-[(2-fluorophenyl)methyl]-4-nitrosopiperidin-3-ylidene]acetic acid
SMILESO=NC1CCN(Cc2ccccc2F)C/C1=C/C(=O)O
InChIInChI=1S/C14H15FN2O3/c15-12-4-2-1-3-10(12)8-17-6-5-13(16-20)11(9-17)7-14(18)19/h1-4,7,13H,5-6,8-9H2,(H,18,19)/b11-7-
InChIKeyICGDPACOQBPUSK-XFFZJAGNSA-N
XLogP2.18
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 133234574
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357912
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122743
3-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 138004005
1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 154884967
1-[(2-fluorophenyl)methyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917779
2-acetamido-3-[[(3Z)-1-[(2-fluorophenyl)methyl]-3-(2-oxoethylidene)piperidin-4-yl]disulfanyl]propanoic acid
CID 144667429
(2E)-2-[1-[(2-chlorophenyl)methyl]-4-(1-propan-2-yloxycarbonyloxyethylsulfanyl)piperidin-3-ylidene]acetic acid
CID 169107191
methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 78582440

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[1-[(2-fluorophenyl)methyl]-4-nitrosopiperidin-3-ylidene]acetic acid?
The IUPAC name of (2Z)-2-[1-[(2-fluorophenyl)methyl]-4-nitrosopiperidin-3-ylidene]acetic acid (CID 170553018) is (2Z)-2-[1-[(2-fluorophenyl)methyl]-4-nitrosopiperidin-3-ylidene]acetic acid.
What is the SMILES notation for (2Z)-2-[1-[(2-fluorophenyl)methyl]-4-nitrosopiperidin-3-ylidene]acetic acid?
The canonical SMILES for (2Z)-2-[1-[(2-fluorophenyl)methyl]-4-nitrosopiperidin-3-ylidene]acetic acid is O=NC1CCN(Cc2ccccc2F)C/C1=C/C(=O)O.
What is the InChIKey of (2Z)-2-[1-[(2-fluorophenyl)methyl]-4-nitrosopiperidin-3-ylidene]acetic acid?
The InChIKey is ICGDPACOQBPUSK-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H15FN2O3/c15-12-4-2-1-3-10(12)8-17-6-5-13(16-20)11(9-17)7-14(18)19/h1-4,7,13H,5-6,8-9H2,(H,18,19)/b11-7-.
What are the key properties of (2Z)-2-[1-[(2-fluorophenyl)methyl]-4-nitrosopiperidin-3-ylidene]acetic acid?
(2Z)-2-[1-[(2-fluorophenyl)methyl]-4-nitrosopiperidin-3-ylidene]acetic acid has a molecular weight of 278.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[1-[(2-fluorophenyl)methyl]-4-nitrosopiperidin-3-ylidene]acetic acid is sourced from PubChem (CID 170553018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).