N-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

C16H21F3N4O2 — CID 91892475

IUPACN-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C16H21F3N4O2/c17-16(18,19)13-8-14(22-10-21-13)23-5-3-11(4-6-23)15(24)20-9-12-2-1-7-25-12/h8,10-12H,1-7,9H2,(H,20,24)
InChIKeyFPSJXNRCNRELPE-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.01
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 91892475) has the molecular formula C16H21F3N4O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID91892475
Molecular FormulaC16H21F3N4O2
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC NameN-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C16H21F3N4O2/c17-16(18,19)13-8-14(22-10-21-13)23-5-3-11(4-6-23)15(24)20-9-12-2-1-7-25-12/h8,10-12H,1-7,9H2,(H,20,24)
InChIKeyFPSJXNRCNRELPE-UHFFFAOYSA-N
XLogP2.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(4-methylanilino)pyrimidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 95101963
N-[(3,5-difluorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892463
N-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892456
N-[(4-chlorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892464
N-(2-thiophen-2-ylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892471
N-(oxolan-2-ylmethyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519154
1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 92877385
1-[[(2S)-oxolan-2-yl]methyl]-3-[4-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea
CID 100778352
N-[[(2R)-oxolan-2-yl]methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29131621
N-(3-chloro-4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892451
N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 138033732
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343918

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 91892475) is N-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is O=C(NCC1CCCO1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is FPSJXNRCNRELPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O2/c17-16(18,19)13-8-14(22-10-21-13)23-5-3-11(4-6-23)15(24)20-9-12-2-1-7-25-12/h8,10-12H,1-7,9H2,(H,20,24).
What are the key properties of N-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 358.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91892475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).