4-amino-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidine-4-carboxamide

C16H22FN3O2 — CID 10494936

IUPAC4-amino-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidine-4-carboxamide
SMILESNC(=O)C1(N)CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FN3O2/c17-13-5-3-12(4-6-13)14(21)2-1-9-20-10-7-16(19,8-11-20)15(18)22/h3-6H,1-2,7-11,19H2,(H2,18,22)
InChIKeyOMSVQOBVPYMBNV-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.07
Rot. Bonds6

About 4-amino-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidine-4-carboxamide

4-amino-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidine-4-carboxamide (PubChem CID 10494936) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-amino-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidine-4-carboxamide
PubChem CID10494936
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name4-amino-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidine-4-carboxamide
SMILESNC(=O)C1(N)CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FN3O2/c17-13-5-3-12(4-6-13)14(21)2-1-9-20-10-7-16(19,8-11-20)15(18)22/h3-6H,1-2,7-11,19H2,(H2,18,22)
InChIKeyOMSVQOBVPYMBNV-UHFFFAOYSA-N
XLogP1.07
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidine-4-carboxamide?
The IUPAC name of 4-amino-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidine-4-carboxamide (CID 10494936) is 4-amino-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-amino-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidine-4-carboxamide?
The canonical SMILES for 4-amino-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidine-4-carboxamide is NC(=O)C1(N)CCN(CCCC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-amino-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidine-4-carboxamide?
The InChIKey is OMSVQOBVPYMBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c17-13-5-3-12(4-6-13)14(21)2-1-9-20-10-7-16(19,8-11-20)15(18)22/h3-6H,1-2,7-11,19H2,(H2,18,22).
What are the key properties of 4-amino-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidine-4-carboxamide?
4-amino-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidine-4-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidine-4-carboxamide is sourced from PubChem (CID 10494936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).