(2-fluorophenyl) 2-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetate

C19H26FN3O3 — CID 54258020

IUPAC(2-fluorophenyl) 2-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetate
SMILESO=C(CNC(=O)N1CCC(N2CCCCC2)CC1)Oc1ccccc1F
InChIInChI=1S/C19H26FN3O3/c20-16-6-2-3-7-17(16)26-18(24)14-21-19(25)23-12-8-15(9-13-23)22-10-4-1-5-11-22/h2-3,6-7,15H,1,4-5,8-14H2,(H,21,25)
InChIKeyRBKZTZPGVHMSSA-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.39
Rot. Bonds4

About (2-fluorophenyl) 2-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetate

(2-fluorophenyl) 2-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetate (PubChem CID 54258020) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is (2-fluorophenyl) 2-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetate.

Molecular Properties

Compound Name(2-fluorophenyl) 2-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetate
PubChem CID54258020
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Name(2-fluorophenyl) 2-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetate
SMILESO=C(CNC(=O)N1CCC(N2CCCCC2)CC1)Oc1ccccc1F
InChIInChI=1S/C19H26FN3O3/c20-16-6-2-3-7-17(16)26-18(24)14-21-19(25)23-12-8-15(9-13-23)22-10-4-1-5-11-22/h2-3,6-7,15H,1,4-5,8-14H2,(H,21,25)
InChIKeyRBKZTZPGVHMSSA-UHFFFAOYSA-N
XLogP2.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2-(2-Fluorophenoxy)ethyl]piperidin-4-yl]imidazolidin-2-one
CID 56815342
4-(1-methylpiperidin-4-yl)-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 172434127
1-N-ethyl-4-[2-(4-fluorophenoxy)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide
CID 24733045
Ethyl 4-{[2-(2-fluorophenoxy)ethyl]amino}piperidine-1-carboxylate
CID 50975559
N-[4-(4-fluorophenoxy)butyl]-4-piperidin-1-ylpiperidine-1-carboxamide
CID 51117960
1-(1-Cyclopropylpiperidin-4-yl)-3-[2-(2,4-difluorophenoxy)ethyl]urea
CID 53596873
1-[2-(4-Fluorophenoxy)ethyl]-1-methyl-3-(1-prop-2-enylpiperidin-4-yl)urea
CID 72139473
4-[[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]piperidine-1-carboxamide
CID 97231977
N-{1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl}-3-(4-fluorophenoxy)azetidine-1-carboxamide
CID 124210978
(2-Fluorophenyl) 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoate
CID 19358564
4-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 58993953
[1-[2-(4-Fluorophenoxy)ethyl]piperidin-4-yl]-[2-(methylamino)-2-oxoethyl]carbamic acid
CID 68465630

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 2-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetate?
The IUPAC name of (2-fluorophenyl) 2-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetate (CID 54258020) is (2-fluorophenyl) 2-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetate.
What is the SMILES notation for (2-fluorophenyl) 2-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetate?
The canonical SMILES for (2-fluorophenyl) 2-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetate is O=C(CNC(=O)N1CCC(N2CCCCC2)CC1)Oc1ccccc1F.
What is the InChIKey of (2-fluorophenyl) 2-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetate?
The InChIKey is RBKZTZPGVHMSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c20-16-6-2-3-7-17(16)26-18(24)14-21-19(25)23-12-8-15(9-13-23)22-10-4-1-5-11-22/h2-3,6-7,15H,1,4-5,8-14H2,(H,21,25).
What are the key properties of (2-fluorophenyl) 2-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetate?
(2-fluorophenyl) 2-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetate has a molecular weight of 363.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 2-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetate is sourced from PubChem (CID 54258020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).