N-cyclohexyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

C18H25F3N4O — CID 9288515

IUPACN-cyclohexyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)NC1CCCCC1
InChIInChI=1S/C18H25F3N4O/c19-18(20,21)14-6-7-16(22-12-14)25-10-8-24(9-11-25)13-17(26)23-15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H,23,26)
InChIKeyCEQOTZDIHQUWRG-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.67
Rot. Bonds4

About N-cyclohexyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

N-cyclohexyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (PubChem CID 9288515) has the molecular formula C18H25F3N4O and a molecular weight of 370.42 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
PubChem CID9288515
Molecular FormulaC18H25F3N4O
Molecular Weight370.42 g/mol
Exact Mass370.20
IUPAC NameN-cyclohexyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)NC1CCCCC1
InChIInChI=1S/C18H25F3N4O/c19-18(20,21)14-6-7-16(22-12-14)25-10-8-24(9-11-25)13-17(26)23-15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H,23,26)
InChIKeyCEQOTZDIHQUWRG-UHFFFAOYSA-N
XLogP2.67
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (CID 9288515) is N-cyclohexyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The InChIKey is CEQOTZDIHQUWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O/c19-18(20,21)14-6-7-16(22-12-14)25-10-8-24(9-11-25)13-17(26)23-15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H,23,26).
What are the key properties of N-cyclohexyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
N-cyclohexyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide has a molecular weight of 370.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9288515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).