4-(2-fluorophenyl)-N,N-di(propan-2-yl)piperidine-1-carboxamide

C18H27FN2O — CID 6488723

IUPAC4-(2-fluorophenyl)-N,N-di(propan-2-yl)piperidine-1-carboxamide
SMILESCC(C)N(C(=O)N1CCC(c2ccccc2F)CC1)C(C)C
InChIInChI=1S/C18H27FN2O/c1-13(2)21(14(3)4)18(22)20-11-9-15(10-12-20)16-7-5-6-8-17(16)19/h5-8,13-15H,9-12H2,1-4H3
InChIKeyZPPJMLXCACQUKU-UHFFFAOYSA-N
MW306.43 g/mol
LogP4.24
Rot. Bonds3

About 4-(2-fluorophenyl)-N,N-di(propan-2-yl)piperidine-1-carboxamide

4-(2-fluorophenyl)-N,N-di(propan-2-yl)piperidine-1-carboxamide (PubChem CID 6488723) has the molecular formula C18H27FN2O and a molecular weight of 306.43 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N,N-di(propan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N,N-di(propan-2-yl)piperidine-1-carboxamide
PubChem CID6488723
Molecular FormulaC18H27FN2O
Molecular Weight306.43 g/mol
Exact Mass306.21
IUPAC Name4-(2-fluorophenyl)-N,N-di(propan-2-yl)piperidine-1-carboxamide
SMILESCC(C)N(C(=O)N1CCC(c2ccccc2F)CC1)C(C)C
InChIInChI=1S/C18H27FN2O/c1-13(2)21(14(3)4)18(22)20-11-9-15(10-12-20)16-7-5-6-8-17(16)19/h5-8,13-15H,9-12H2,1-4H3
InChIKeyZPPJMLXCACQUKU-UHFFFAOYSA-N
XLogP4.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N,N-di(propan-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N,N-di(propan-2-yl)piperidine-1-carboxamide (CID 6488723) is 4-(2-fluorophenyl)-N,N-di(propan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N,N-di(propan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N,N-di(propan-2-yl)piperidine-1-carboxamide is CC(C)N(C(=O)N1CCC(c2ccccc2F)CC1)C(C)C.
What is the InChIKey of 4-(2-fluorophenyl)-N,N-di(propan-2-yl)piperidine-1-carboxamide?
The InChIKey is ZPPJMLXCACQUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-13(2)21(14(3)4)18(22)20-11-9-15(10-12-20)16-7-5-6-8-17(16)19/h5-8,13-15H,9-12H2,1-4H3.
What are the key properties of 4-(2-fluorophenyl)-N,N-di(propan-2-yl)piperidine-1-carboxamide?
4-(2-fluorophenyl)-N,N-di(propan-2-yl)piperidine-1-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N,N-di(propan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 6488723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).