4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide

C14H26FN3O — CID 126752756

IUPAC4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
SMILESCC(C)N1CCC(NC(=O)N2CCC(F)CC2)CC1
InChIInChI=1S/C14H26FN3O/c1-11(2)17-9-5-13(6-10-17)16-14(19)18-7-3-12(15)4-8-18/h11-13H,3-10H2,1-2H3,(H,16,19)
InChIKeyOVDRWBSPQPPATI-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.00
Rot. Bonds2

About 4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide

4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide (PubChem CID 126752756) has the molecular formula C14H26FN3O and a molecular weight of 271.38 g/mol. Its IUPAC name is 4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
PubChem CID126752756
Molecular FormulaC14H26FN3O
Molecular Weight271.38 g/mol
Exact Mass271.21
IUPAC Name4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
SMILESCC(C)N1CCC(NC(=O)N2CCC(F)CC2)CC1
InChIInChI=1S/C14H26FN3O/c1-11(2)17-9-5-13(6-10-17)16-14(19)18-7-3-12(15)4-8-18/h11-13H,3-10H2,1-2H3,(H,16,19)
InChIKeyOVDRWBSPQPPATI-UHFFFAOYSA-N
XLogP2.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide?
The IUPAC name of 4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide (CID 126752756) is 4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide is CC(C)N1CCC(NC(=O)N2CCC(F)CC2)CC1.
What is the InChIKey of 4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide?
The InChIKey is OVDRWBSPQPPATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FN3O/c1-11(2)17-9-5-13(6-10-17)16-14(19)18-7-3-12(15)4-8-18/h11-13H,3-10H2,1-2H3,(H,16,19).
What are the key properties of 4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide?
4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide has a molecular weight of 271.38 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126752756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).