(4-aminopiperidin-1-yl)-[4-(oxolan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone

C16H22F3N5O2 — CID 59625530

IUPAC(4-aminopiperidin-1-yl)-[4-(oxolan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESNC1CCN(C(=O)c2cnc(C(F)(F)F)nc2NCC2CCCO2)CC1
InChIInChI=1S/C16H22F3N5O2/c17-16(18,19)15-22-9-12(14(25)24-5-3-10(20)4-6-24)13(23-15)21-8-11-2-1-7-26-11/h9-11H,1-8,20H2,(H,21,22,23)
InChIKeyPZNCMILWSXMZIO-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.65
Rot. Bonds4

About (4-aminopiperidin-1-yl)-[4-(oxolan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone

(4-aminopiperidin-1-yl)-[4-(oxolan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone (PubChem CID 59625530) has the molecular formula C16H22F3N5O2 and a molecular weight of 373.38 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[4-(oxolan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[4-(oxolan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone
PubChem CID59625530
Molecular FormulaC16H22F3N5O2
Molecular Weight373.38 g/mol
Exact Mass373.17
IUPAC Name(4-aminopiperidin-1-yl)-[4-(oxolan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESNC1CCN(C(=O)c2cnc(C(F)(F)F)nc2NCC2CCCO2)CC1
InChIInChI=1S/C16H22F3N5O2/c17-16(18,19)15-22-9-12(14(25)24-5-3-10(20)4-6-24)13(23-15)21-8-11-2-1-7-26-11/h9-11H,1-8,20H2,(H,21,22,23)
InChIKeyPZNCMILWSXMZIO-UHFFFAOYSA-N
XLogP1.65
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4-aminopiperidin-1-yl)-[4-(oxolan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone with MolForge

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Related Compounds

2-[(4-methoxycyclohexyl)amino]-4-[[(3R)-oxan-3-yl]amino]pyrimidine-5-carboxamide
CID 71237338
US10906888, Example 168
CID 145441233
2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide
CID 72548580
2,4-bis(butylamino)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide
CID 72548581
4-amino-2-(cyclopentylmethoxy)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 70687944
N-cyclopentyl-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholine-2-carboxamide
CID 110246686
N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20863907
2-methoxy-N-[(3S,4S)-4-methoxyoxan-3-yl]pyrimidine-5-carboxamide
CID 164633860
2-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 57833070
(4-Aminopiperidin-1-yl)-[4-(2-ethoxyethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 59625165
(4-Aminopiperidin-1-yl)-[4-(3-methoxypropylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 59625384
(4-Aminopiperidin-1-yl)-[4-(butylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 59625434

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[4-(oxolan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[4-(oxolan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone (CID 59625530) is (4-aminopiperidin-1-yl)-[4-(oxolan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[4-(oxolan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[4-(oxolan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone is NC1CCN(C(=O)c2cnc(C(F)(F)F)nc2NCC2CCCO2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[4-(oxolan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The InChIKey is PZNCMILWSXMZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5O2/c17-16(18,19)15-22-9-12(14(25)24-5-3-10(20)4-6-24)13(23-15)21-8-11-2-1-7-26-11/h9-11H,1-8,20H2,(H,21,22,23).
What are the key properties of (4-aminopiperidin-1-yl)-[4-(oxolan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone?
(4-aminopiperidin-1-yl)-[4-(oxolan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone has a molecular weight of 373.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[4-(oxolan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone is sourced from PubChem (CID 59625530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).