2-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-cyclopentylacetamide

C18H23BrF3N3O — CID 171994103

IUPAC2-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-cyclopentylacetamide
SMILESO=C(CC1CCN(c2ncc(Br)cc2C(F)(F)F)CC1)NC1CCCC1
InChIInChI=1S/C18H23BrF3N3O/c19-13-10-15(18(20,21)22)17(23-11-13)25-7-5-12(6-8-25)9-16(26)24-14-3-1-2-4-14/h10-12,14H,1-9H2,(H,24,26)
InChIKeyTWAQSWHRFFKYQK-UHFFFAOYSA-N
MW434.30 g/mol
LogP4.53
Rot. Bonds4

About 2-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-cyclopentylacetamide

2-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-cyclopentylacetamide (PubChem CID 171994103) has the molecular formula C18H23BrF3N3O and a molecular weight of 434.30 g/mol. Its IUPAC name is 2-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-cyclopentylacetamide
PubChem CID171994103
Molecular FormulaC18H23BrF3N3O
Molecular Weight434.30 g/mol
Exact Mass433.10
IUPAC Name2-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-cyclopentylacetamide
SMILESO=C(CC1CCN(c2ncc(Br)cc2C(F)(F)F)CC1)NC1CCCC1
InChIInChI=1S/C18H23BrF3N3O/c19-13-10-15(18(20,21)22)17(23-11-13)25-7-5-12(6-8-25)9-16(26)24-14-3-1-2-4-14/h10-12,14H,1-9H2,(H,24,26)
InChIKeyTWAQSWHRFFKYQK-UHFFFAOYSA-N
XLogP4.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.30
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanamine
CID 106796530
5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 106796935
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 171326608
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
CID 175650470
5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
CID 106797048
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171994912
[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165432807
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-ethylpiperidin-4-amine
CID 106796608
N-cyclopentyl-2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]acetamide
CID 171994481
N-cyclopentyl-2-(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)acetamide
CID 171994443
8-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 106795827
N-cyclopentyl-2-cyclopropylacetamide
CID 60753480

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-cyclopentylacetamide (CID 171994103) is 2-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-cyclopentylacetamide is O=C(CC1CCN(c2ncc(Br)cc2C(F)(F)F)CC1)NC1CCCC1.
What is the InChIKey of 2-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-cyclopentylacetamide?
The InChIKey is TWAQSWHRFFKYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrF3N3O/c19-13-10-15(18(20,21)22)17(23-11-13)25-7-5-12(6-8-25)9-16(26)24-14-3-1-2-4-14/h10-12,14H,1-9H2,(H,24,26).
What are the key properties of 2-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-cyclopentylacetamide?
2-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-cyclopentylacetamide has a molecular weight of 434.30 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 171994103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).