(4-propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone

C18H26F3N5O — CID 68817107

IUPAC(4-propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
SMILESCC(C)N1CCN(C(=O)C2CCN(c3cnc(C(F)(F)F)cn3)CC2)CC1
InChIInChI=1S/C18H26F3N5O/c1-13(2)24-7-9-26(10-8-24)17(27)14-3-5-25(6-4-14)16-12-22-15(11-23-16)18(19,20)21/h11-14H,3-10H2,1-2H3
InChIKeyMHKSPEWRVFTDJC-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.26
Rot. Bonds3

About (4-propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone

(4-propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone (PubChem CID 68817107) has the molecular formula C18H26F3N5O and a molecular weight of 385.43 g/mol. Its IUPAC name is (4-propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
PubChem CID68817107
Molecular FormulaC18H26F3N5O
Molecular Weight385.43 g/mol
Exact Mass385.21
IUPAC Name(4-propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
SMILESCC(C)N1CCN(C(=O)C2CCN(c3cnc(C(F)(F)F)cn3)CC2)CC1
InChIInChI=1S/C18H26F3N5O/c1-13(2)24-7-9-26(10-8-24)17(27)14-3-5-25(6-4-14)16-12-22-15(11-23-16)18(19,20)21/h11-14H,3-10H2,1-2H3
InChIKeyMHKSPEWRVFTDJC-UHFFFAOYSA-N
XLogP2.26
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone with MolForge

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Related Compounds

N-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxamide
CID 3231148
(6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96579994
9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97136804
[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
CID 11165470
(4-Propan-2-yl-1,4-diazepan-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
CID 57843641
[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone;hydrochloride
CID 68816636
(4-Propan-2-yl-1,4-diazepan-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone;hydrochloride
CID 68817543
(3-Methyl-4-propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
CID 69145456
1-[2-(1-Ethylpiperidin-4-yl)ethyl]-3-[5-(trifluoromethyl)pyrazin-2-yl]urea
CID 69915032
(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carbaldehyde
CID 142966294
(2R,6R)-2-cyclopentyl-6-methyl-N-(2-piperidin-4-ylethyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide
CID 156468289
(2R,6S)-N-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxamide
CID 166704658

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone?
The IUPAC name of (4-propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone (CID 68817107) is (4-propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone?
The canonical SMILES for (4-propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone is CC(C)N1CCN(C(=O)C2CCN(c3cnc(C(F)(F)F)cn3)CC2)CC1.
What is the InChIKey of (4-propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone?
The InChIKey is MHKSPEWRVFTDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N5O/c1-13(2)24-7-9-26(10-8-24)17(27)14-3-5-25(6-4-14)16-12-22-15(11-23-16)18(19,20)21/h11-14H,3-10H2,1-2H3.
What are the key properties of (4-propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone?
(4-propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone has a molecular weight of 385.43 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 68817107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).