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

C14H26FN3O — CID 126752758

IUPAC3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
SMILESCC(C)N1CCC(NC(=O)N2CCCC(F)C2)CC1
InChIInChI=1S/C14H26FN3O/c1-11(2)17-8-5-13(6-9-17)16-14(19)18-7-3-4-12(15)10-18/h11-13H,3-10H2,1-2H3,(H,16,19)
InChIKeyVJIMENUKUFPPMC-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.00
Rot. Bonds2

About 3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide

3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide (PubChem CID 126752758) has the molecular formula C14H26FN3O and a molecular weight of 271.38 g/mol. Its IUPAC name is 3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
PubChem CID126752758
Molecular FormulaC14H26FN3O
Molecular Weight271.38 g/mol
Exact Mass271.21
IUPAC Name3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
SMILESCC(C)N1CCC(NC(=O)N2CCCC(F)C2)CC1
InChIInChI=1S/C14H26FN3O/c1-11(2)17-8-5-13(6-9-17)16-14(19)18-7-3-4-12(15)10-18/h11-13H,3-10H2,1-2H3,(H,16,19)
InChIKeyVJIMENUKUFPPMC-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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Related Compounds

N'-cyclohexyl-N-methyl-N-(1-methyl-4-piperidinyl)urea
CID 974775
1-Cyclohexyl-3-(1-methylpiperidin-4-yl)urea
CID 6468634
4-amino-N-cyclohexylpiperidine-1-carboxamide
CID 6489233
N-cyclohexyl-N'-(1-isopropyl-4-piperidinyl)urea
CID 6466102
N-Isopropyl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3234223
4-Amino-N-methyl-1-piperidinecarboxamide
CID 53256183
1,3-Dimethyl-1-(1-methylpiperidin-4-yl)urea
CID 54043995
3-Methyl-1-(1-methylpiperidin-4-yl)urea
CID 59833286
4-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 172435138
2-methyl-N-propylpiperidine-1-carboxamide
CID 6468414
1-(1-Ethylpiperidin-4-yl)-3-propylurea
CID 6468806
3,3-Dimethyl-1-(piperidin-4-yl)urea
CID 18677692

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide?
The IUPAC name of 3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide (CID 126752758) is 3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide is CC(C)N1CCC(NC(=O)N2CCCC(F)C2)CC1.
What is the InChIKey of 3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide?
The InChIKey is VJIMENUKUFPPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FN3O/c1-11(2)17-8-5-13(6-9-17)16-14(19)18-7-3-4-12(15)10-18/h11-13H,3-10H2,1-2H3,(H,16,19).
What are the key properties of 3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide?
3-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 3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126752758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).