N-pentan-3-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

C17H25F3N4O — CID 9288581

IUPACN-pentan-3-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCCC(CC)NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H25F3N4O/c1-3-14(4-2)22-16(25)12-23-7-9-24(10-8-23)15-6-5-13(11-21-15)17(18,19)20/h5-6,11,14H,3-4,7-10,12H2,1-2H3,(H,22,25)
InChIKeyFVNAOQDVOGPVSC-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.53
Rot. Bonds6

About N-pentan-3-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

N-pentan-3-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (PubChem CID 9288581) has the molecular formula C17H25F3N4O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-pentan-3-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-pentan-3-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
PubChem CID9288581
Molecular FormulaC17H25F3N4O
Molecular Weight358.41 g/mol
Exact Mass358.20
IUPAC NameN-pentan-3-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCCC(CC)NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H25F3N4O/c1-3-14(4-2)22-16(25)12-23-7-9-24(10-8-23)15-6-5-13(11-21-15)17(18,19)20/h5-6,11,14H,3-4,7-10,12H2,1-2H3,(H,22,25)
InChIKeyFVNAOQDVOGPVSC-UHFFFAOYSA-N
XLogP2.53
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The IUPAC name of N-pentan-3-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (CID 9288581) is N-pentan-3-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-pentan-3-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-pentan-3-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is CCC(CC)NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-pentan-3-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The InChIKey is FVNAOQDVOGPVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O/c1-3-14(4-2)22-16(25)12-23-7-9-24(10-8-23)15-6-5-13(11-21-15)17(18,19)20/h5-6,11,14H,3-4,7-10,12H2,1-2H3,(H,22,25).
What are the key properties of N-pentan-3-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
N-pentan-3-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide has a molecular weight of 358.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9288581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).