4-(4-phenylpiperazin-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide

C25H32F3N5O — CID 58577214

IUPAC4-(4-phenylpiperazin-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide
SMILESO=C(CCCN1CCN(c2ccccc2)CC1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C25H32F3N5O/c26-25(27,28)20-8-9-23(29-19-20)33-13-10-21(11-14-33)30-24(34)7-4-12-31-15-17-32(18-16-31)22-5-2-1-3-6-22/h1-3,5-6,8-9,19,21H,4,7,10-18H2,(H,30,34)
InChIKeyKLEXQNSCEMFNDX-UHFFFAOYSA-N
MW475.56 g/mol
LogP3.79
Rot. Bonds7

About 4-(4-phenylpiperazin-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide

4-(4-phenylpiperazin-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide (PubChem CID 58577214) has the molecular formula C25H32F3N5O and a molecular weight of 475.56 g/mol. Its IUPAC name is 4-(4-phenylpiperazin-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-(4-phenylpiperazin-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide
PubChem CID58577214
Molecular FormulaC25H32F3N5O
Molecular Weight475.56 g/mol
Exact Mass475.26
IUPAC Name4-(4-phenylpiperazin-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide
SMILESO=C(CCCN1CCN(c2ccccc2)CC1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C25H32F3N5O/c26-25(27,28)20-8-9-23(29-19-20)33-13-10-21(11-14-33)30-24(34)7-4-12-31-15-17-32(18-16-31)22-5-2-1-3-6-22/h1-3,5-6,8-9,19,21H,4,7,10-18H2,(H,30,34)
InChIKeyKLEXQNSCEMFNDX-UHFFFAOYSA-N
XLogP3.79
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-chlorophenyl)piperazin-1-yl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide;methane
CID 158663589
N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 91026152
4-(1,3-dioxoisoindol-2-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]butanamide
CID 121142788
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]hexan-3-one
CID 91252320
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
CID 46485770
3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142589
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 38559713
2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55708412
2-[(2-chlorophenyl)methoxy]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55777562
4-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperazine-1-carboxamide
CID 55793014

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperazin-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide?
The IUPAC name of 4-(4-phenylpiperazin-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide (CID 58577214) is 4-(4-phenylpiperazin-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide.
What is the SMILES notation for 4-(4-phenylpiperazin-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide?
The canonical SMILES for 4-(4-phenylpiperazin-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide is O=C(CCCN1CCN(c2ccccc2)CC1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 4-(4-phenylpiperazin-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide?
The InChIKey is KLEXQNSCEMFNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N5O/c26-25(27,28)20-8-9-23(29-19-20)33-13-10-21(11-14-33)30-24(34)7-4-12-31-15-17-32(18-16-31)22-5-2-1-3-6-22/h1-3,5-6,8-9,19,21H,4,7,10-18H2,(H,30,34).
What are the key properties of 4-(4-phenylpiperazin-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide?
4-(4-phenylpiperazin-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide has a molecular weight of 475.56 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperazin-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 58577214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).