N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3,3-difluoropyrrolidine-1-carboxamide

C16H23F2N5O — CID 146126199

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3,3-difluoropyrrolidine-1-carboxamide
SMILESCc1cc(N2CCC(NC(=O)N3CCC(F)(F)C3)CC2)nc(C)n1
InChIInChI=1S/C16H23F2N5O/c1-11-9-14(20-12(2)19-11)22-6-3-13(4-7-22)21-15(24)23-8-5-16(17,18)10-23/h9,13H,3-8,10H2,1-2H3,(H,21,24)
InChIKeyPBAUDAPTNCAUKA-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.11
Rot. Bonds2

About N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3,3-difluoropyrrolidine-1-carboxamide

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3,3-difluoropyrrolidine-1-carboxamide (PubChem CID 146126199) has the molecular formula C16H23F2N5O and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3,3-difluoropyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3,3-difluoropyrrolidine-1-carboxamide
PubChem CID146126199
Molecular FormulaC16H23F2N5O
Molecular Weight339.39 g/mol
Exact Mass339.19
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3,3-difluoropyrrolidine-1-carboxamide
SMILESCc1cc(N2CCC(NC(=O)N3CCC(F)(F)C3)CC2)nc(C)n1
InChIInChI=1S/C16H23F2N5O/c1-11-9-14(20-12(2)19-11)22-6-3-13(4-7-22)21-15(24)23-8-5-16(17,18)10-23/h9,13H,3-8,10H2,1-2H3,(H,21,24)
InChIKeyPBAUDAPTNCAUKA-UHFFFAOYSA-N
XLogP2.11
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3,3-difluoropyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3,3-difluoropyrrolidine-1-carboxamide (CID 146126199) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3,3-difluoropyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3,3-difluoropyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3,3-difluoropyrrolidine-1-carboxamide is Cc1cc(N2CCC(NC(=O)N3CCC(F)(F)C3)CC2)nc(C)n1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3,3-difluoropyrrolidine-1-carboxamide?
The InChIKey is PBAUDAPTNCAUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N5O/c1-11-9-14(20-12(2)19-11)22-6-3-13(4-7-22)21-15(24)23-8-5-16(17,18)10-23/h9,13H,3-8,10H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3,3-difluoropyrrolidine-1-carboxamide?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3,3-difluoropyrrolidine-1-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3,3-difluoropyrrolidine-1-carboxamide is sourced from PubChem (CID 146126199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).