1-acetyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide

C18H26N4O3 — CID 91626232

IUPAC1-acetyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC2CCC(Oc3ncccn3)CC2)CC1
InChIInChI=1S/C18H26N4O3/c1-13(23)22-11-7-14(8-12-22)17(24)21-15-3-5-16(6-4-15)25-18-19-9-2-10-20-18/h2,9-10,14-16H,3-8,11-12H2,1H3,(H,21,24)
InChIKeyYRPGVBPSBUAVRH-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.54
Rot. Bonds4

About 1-acetyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide

1-acetyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide (PubChem CID 91626232) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-acetyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide
PubChem CID91626232
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-acetyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC2CCC(Oc3ncccn3)CC2)CC1
InChIInChI=1S/C18H26N4O3/c1-13(23)22-11-7-14(8-12-22)17(24)21-15-3-5-16(6-4-15)25-18-19-9-2-10-20-18/h2,9-10,14-16H,3-8,11-12H2,1H3,(H,21,24)
InChIKeyYRPGVBPSBUAVRH-UHFFFAOYSA-N
XLogP1.54
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-pyrimidin-2-yloxycyclohexyl)cyclopentanecarboxamide
CID 90633226
(2R)-5-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide
CID 100749039
1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633499
1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 29367836
4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60807892
N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine
CID 20607230
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide
CID 90633658
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
N-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 90633421
3-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63044371
1-acetyl-N-(1-cyclopropylpiperidin-4-yl)piperidine-4-carboxamide
CID 110750203
2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558807

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide (CID 91626232) is 1-acetyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NC2CCC(Oc3ncccn3)CC2)CC1.
What is the InChIKey of 1-acetyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide?
The InChIKey is YRPGVBPSBUAVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13(23)22-11-7-14(8-12-22)17(24)21-15-3-5-16(6-4-15)25-18-19-9-2-10-20-18/h2,9-10,14-16H,3-8,11-12H2,1H3,(H,21,24).
What are the key properties of 1-acetyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide?
1-acetyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 91626232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).