4-(4-fluorobenzoyl)-N-propylpiperidine-1-carboxamide

C16H21FN2O2 — CID 3223609

IUPAC4-(4-fluorobenzoyl)-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN2O2/c1-2-9-18-16(21)19-10-7-13(8-11-19)15(20)12-3-5-14(17)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,18,21)
InChIKeyPLJZPWIKEFZLCK-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.84
Rot. Bonds4

About 4-(4-fluorobenzoyl)-N-propylpiperidine-1-carboxamide

4-(4-fluorobenzoyl)-N-propylpiperidine-1-carboxamide (PubChem CID 3223609) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 4-(4-fluorobenzoyl)-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorobenzoyl)-N-propylpiperidine-1-carboxamide
PubChem CID3223609
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name4-(4-fluorobenzoyl)-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN2O2/c1-2-9-18-16(21)19-10-7-13(8-11-19)15(20)12-3-5-14(17)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,18,21)
InChIKeyPLJZPWIKEFZLCK-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorobenzoyl)-N-propylpiperidine-1-carboxamide?
The IUPAC name of 4-(4-fluorobenzoyl)-N-propylpiperidine-1-carboxamide (CID 3223609) is 4-(4-fluorobenzoyl)-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorobenzoyl)-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 4-(4-fluorobenzoyl)-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorobenzoyl)-N-propylpiperidine-1-carboxamide?
The InChIKey is PLJZPWIKEFZLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-2-9-18-16(21)19-10-7-13(8-11-19)15(20)12-3-5-14(17)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,18,21).
What are the key properties of 4-(4-fluorobenzoyl)-N-propylpiperidine-1-carboxamide?
4-(4-fluorobenzoyl)-N-propylpiperidine-1-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorobenzoyl)-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 3223609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).