N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

C19H27F3N4O — CID 91809845

IUPACN-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1nc(N2CCC(C(=O)NC3CCCCCC3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H27F3N4O/c1-13-23-16(19(20,21)22)12-17(24-13)26-10-8-14(9-11-26)18(27)25-15-6-4-2-3-5-7-15/h12,14-15H,2-11H2,1H3,(H,25,27)
InChIKeyULBCOXRIUKNYML-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.86
Rot. Bonds3

About N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 91809845) has the molecular formula C19H27F3N4O and a molecular weight of 384.45 g/mol. Its IUPAC name is N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID91809845
Molecular FormulaC19H27F3N4O
Molecular Weight384.45 g/mol
Exact Mass384.21
IUPAC NameN-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1nc(N2CCC(C(=O)NC3CCCCCC3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H27F3N4O/c1-13-23-16(19(20,21)22)12-17(24-13)26-10-8-14(9-11-26)18(27)25-15-6-4-2-3-5-7-15/h12,14-15H,2-11H2,1H3,(H,25,27)
InChIKeyULBCOXRIUKNYML-UHFFFAOYSA-N
XLogP3.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 91809845) is N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is Cc1nc(N2CCC(C(=O)NC3CCCCCC3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is ULBCOXRIUKNYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O/c1-13-23-16(19(20,21)22)12-17(24-13)26-10-8-14(9-11-26)18(27)25-15-6-4-2-3-5-7-15/h12,14-15H,2-11H2,1H3,(H,25,27).
What are the key properties of N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91809845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).