N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide

C18H31F2N3O2 — CID 49072253

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)NC2CCN(CC(F)F)CC2)C1
InChIInChI=1S/C18H31F2N3O2/c1-18(2,3)17(25)23-8-4-5-13(11-23)16(24)21-14-6-9-22(10-7-14)12-15(19)20/h13-15H,4-12H2,1-3H3,(H,21,24)
InChIKeyRAQKCSPIWLFWRU-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.12
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide (PubChem CID 49072253) has the molecular formula C18H31F2N3O2 and a molecular weight of 359.46 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
PubChem CID49072253
Molecular FormulaC18H31F2N3O2
Molecular Weight359.46 g/mol
Exact Mass359.24
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)NC2CCN(CC(F)F)CC2)C1
InChIInChI=1S/C18H31F2N3O2/c1-18(2,3)17(25)23-8-4-5-13(11-23)16(24)21-14-6-9-22(10-7-14)12-15(19)20/h13-15H,4-12H2,1-3H3,(H,21,24)
InChIKeyRAQKCSPIWLFWRU-UHFFFAOYSA-N
XLogP2.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide (CID 49072253) is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide is CC(C)(C)C(=O)N1CCCC(C(=O)NC2CCN(CC(F)F)CC2)C1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The InChIKey is RAQKCSPIWLFWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31F2N3O2/c1-18(2,3)17(25)23-8-4-5-13(11-23)16(24)21-14-6-9-22(10-7-14)12-15(19)20/h13-15H,4-12H2,1-3H3,(H,21,24).
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide has a molecular weight of 359.46 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 49072253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).