N-(2,2-dimethyloxan-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C17H26N4O2 — CID 71702861

IUPACN-(2,2-dimethyloxan-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCC1(C)CC(NC(=O)C2CCCN(c3ncccn3)C2)CCO1
InChIInChI=1S/C17H26N4O2/c1-17(2)11-14(6-10-23-17)20-15(22)13-5-3-9-21(12-13)16-18-7-4-8-19-16/h4,7-8,13-14H,3,5-6,9-12H2,1-2H3,(H,20,22)
InChIKeyHBWLCTFEWHJIQQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.77
Rot. Bonds3

About N-(2,2-dimethyloxan-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(2,2-dimethyloxan-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 71702861) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID71702861
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(2,2-dimethyloxan-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCC1(C)CC(NC(=O)C2CCCN(c3ncccn3)C2)CCO1
InChIInChI=1S/C17H26N4O2/c1-17(2)11-14(6-10-23-17)20-15(22)13-5-3-9-21(12-13)16-18-7-4-8-19-16/h4,7-8,13-14H,3,5-6,9-12H2,1-2H3,(H,20,22)
InChIKeyHBWLCTFEWHJIQQ-UHFFFAOYSA-N
XLogP1.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
(3R)-N-[(4R)-2,2-dimethyloxan-4-yl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 97496285
(3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435438
(3R)-1-pyrimidin-2-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-3-carboxamide
CID 100851588
1-pyrimidin-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide
CID 71897332
3-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 83028917
N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide
CID 43712323
1-cyclohexyl-N-(2,2-dimethyloxan-4-yl)azetidine-3-carboxamide
CID 122152344
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435
(3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95551990

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 71702861) is N-(2,2-dimethyloxan-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is CC1(C)CC(NC(=O)C2CCCN(c3ncccn3)C2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is HBWLCTFEWHJIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-17(2)11-14(6-10-23-17)20-15(22)13-5-3-9-21(12-13)16-18-7-4-8-19-16/h4,7-8,13-14H,3,5-6,9-12H2,1-2H3,(H,20,22).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(2,2-dimethyloxan-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 71702861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).