N-cyclopentyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide

C15H20F3N5O — CID 91631546

IUPACN-cyclopentyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C15H20F3N5O/c16-15(17,18)12-9-13(20-10-19-12)22-5-7-23(8-6-22)14(24)21-11-3-1-2-4-11/h9-11H,1-8H2,(H,21,24)
InChIKeyRSQPQFZVHZJGMH-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.27
Rot. Bonds2

About N-cyclopentyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide

N-cyclopentyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 91631546) has the molecular formula C15H20F3N5O and a molecular weight of 343.35 g/mol. Its IUPAC name is N-cyclopentyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID91631546
Molecular FormulaC15H20F3N5O
Molecular Weight343.35 g/mol
Exact Mass343.16
IUPAC NameN-cyclopentyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C15H20F3N5O/c16-15(17,18)12-9-13(20-10-19-12)22-5-7-23(8-6-22)14(24)21-11-3-1-2-4-11/h9-11H,1-8H2,(H,21,24)
InChIKeyRSQPQFZVHZJGMH-UHFFFAOYSA-N
XLogP2.27
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide (CID 91631546) is N-cyclopentyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide is O=C(NC1CCCC1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of N-cyclopentyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is RSQPQFZVHZJGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O/c16-15(17,18)12-9-13(20-10-19-12)22-5-7-23(8-6-22)14(24)21-11-3-1-2-4-11/h9-11H,1-8H2,(H,21,24).
What are the key properties of N-cyclopentyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide?
N-cyclopentyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 343.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 91631546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).