(2-fluorophenyl) 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoate

C20H28FN3O3 — CID 19358564

IUPAC(2-fluorophenyl) 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoate
SMILESO=C(CCNC(=O)N1CCC(N2CCCCC2)CC1)Oc1ccccc1F
InChIInChI=1S/C20H28FN3O3/c21-17-6-2-3-7-18(17)27-19(25)8-11-22-20(26)24-14-9-16(10-15-24)23-12-4-1-5-13-23/h2-3,6-7,16H,1,4-5,8-15H2,(H,22,26)
InChIKeyHAJIPXBIESENHK-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.78
Rot. Bonds5

About (2-fluorophenyl) 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoate

(2-fluorophenyl) 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoate (PubChem CID 19358564) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is (2-fluorophenyl) 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoate.

Molecular Properties

Compound Name(2-fluorophenyl) 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoate
PubChem CID19358564
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC Name(2-fluorophenyl) 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoate
SMILESO=C(CCNC(=O)N1CCC(N2CCCCC2)CC1)Oc1ccccc1F
InChIInChI=1S/C20H28FN3O3/c21-17-6-2-3-7-18(17)27-19(25)8-11-22-20(26)24-14-9-16(10-15-24)23-12-4-1-5-13-23/h2-3,6-7,16H,1,4-5,8-15H2,(H,22,26)
InChIKeyHAJIPXBIESENHK-UHFFFAOYSA-N
XLogP2.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoate?
The IUPAC name of (2-fluorophenyl) 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoate (CID 19358564) is (2-fluorophenyl) 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoate.
What is the SMILES notation for (2-fluorophenyl) 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoate?
The canonical SMILES for (2-fluorophenyl) 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoate is O=C(CCNC(=O)N1CCC(N2CCCCC2)CC1)Oc1ccccc1F.
What is the InChIKey of (2-fluorophenyl) 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoate?
The InChIKey is HAJIPXBIESENHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O3/c21-17-6-2-3-7-18(17)27-19(25)8-11-22-20(26)24-14-9-16(10-15-24)23-12-4-1-5-13-23/h2-3,6-7,16H,1,4-5,8-15H2,(H,22,26).
What are the key properties of (2-fluorophenyl) 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoate?
(2-fluorophenyl) 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoate has a molecular weight of 377.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 3-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]propanoate is sourced from PubChem (CID 19358564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).