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

C18H25F3N4O — CID 91892455

IUPACN-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C18H25F3N4O/c19-18(20,21)15-11-16(23-12-22-15)25-9-7-13(8-10-25)17(26)24-14-5-3-1-2-4-6-14/h11-14H,1-10H2,(H,24,26)
InChIKeyNBBPQZLAWSVXFI-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.55
Rot. Bonds3

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

N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 91892455) has the molecular formula C18H25F3N4O and a molecular weight of 370.42 g/mol. Its IUPAC name is N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID91892455
Molecular FormulaC18H25F3N4O
Molecular Weight370.42 g/mol
Exact Mass370.20
IUPAC NameN-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C18H25F3N4O/c19-18(20,21)15-11-16(23-12-22-15)25-9-7-13(8-10-25)17(26)24-14-5-3-1-2-4-6-14/h11-14H,1-10H2,(H,24,26)
InChIKeyNBBPQZLAWSVXFI-UHFFFAOYSA-N
XLogP3.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 91892455) is N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is O=C(NC1CCCCCC1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is NBBPQZLAWSVXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O/c19-18(20,21)15-11-16(23-12-22-15)25-9-7-13(8-10-25)17(26)24-14-5-3-1-2-4-6-14/h11-14H,1-10H2,(H,24,26).
What are the key properties of N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91892455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).