[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-(oxan-4-yl)methanone

C19H25F3N4O2 — CID 126890789

IUPAC[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC(N(c2cc(C(F)(F)F)ncn2)C2CC2)CC1
InChIInChI=1S/C19H25F3N4O2/c20-19(21,22)16-11-17(24-12-23-16)26(14-1-2-14)15-3-7-25(8-4-15)18(27)13-5-9-28-10-6-13/h11-15H,1-10H2
InChIKeyZMTPEMAMGWIQBR-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.88
Rot. Bonds4

About [4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-(oxan-4-yl)methanone

[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 126890789) has the molecular formula C19H25F3N4O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is [4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID126890789
Molecular FormulaC19H25F3N4O2
Molecular Weight398.43 g/mol
Exact Mass398.19
IUPAC Name[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC(N(c2cc(C(F)(F)F)ncn2)C2CC2)CC1
InChIInChI=1S/C19H25F3N4O2/c20-19(21,22)16-11-17(24-12-23-16)26(14-1-2-14)15-3-7-25(8-4-15)18(27)13-5-9-28-10-6-13/h11-15H,1-10H2
InChIKeyZMTPEMAMGWIQBR-UHFFFAOYSA-N
XLogP2.88
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(oxolan-2-yl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892475
Ethyl 1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 118020322
Pyrrolidin-1-yl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 126614231
[(1S,3R)-3-[[(3S)-3-methyloxan-4-ylidene]amino]-1-propan-2-ylcyclopentyl]-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 129171732
N,2-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 132176747
N-(oxan-4-yl)-N-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]ethyl]formamide
CID 143229500
Oxan-4-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 53565746
Oxan-4-yl-[2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]azepan-1-yl]methanone
CID 53605728
N-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)tetrahydrofuran-3-carboxamide
CID 91817782
(4-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)(tetrahydro-2H-pyran-4-yl)methanone
CID 91817842
oxan-4-yl-[(2S)-2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]azepan-1-yl]methanone
CID 95327964
oxan-4-yl-[(2R)-2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]azepan-1-yl]methanone
CID 95327965

Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-(oxan-4-yl)methanone (CID 126890789) is [4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCC(N(c2cc(C(F)(F)F)ncn2)C2CC2)CC1.
What is the InChIKey of [4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is ZMTPEMAMGWIQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O2/c20-19(21,22)16-11-17(24-12-23-16)26(14-1-2-14)15-3-7-25(8-4-15)18(27)13-5-9-28-10-6-13/h11-15H,1-10H2.
What are the key properties of [4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-(oxan-4-yl)methanone?
[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 398.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 126890789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).