N-(oxan-4-yl)-1-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide

C16H26N4O2 — CID 166604577

IUPACN-(oxan-4-yl)-1-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
SMILESO=C(NC1CCOCC1)C1CCCN(CCn2cccn2)C1
InChIInChI=1S/C16H26N4O2/c21-16(18-15-4-11-22-12-5-15)14-3-1-7-19(13-14)9-10-20-8-2-6-17-20/h2,6,8,14-15H,1,3-5,7,9-13H2,(H,18,21)
InChIKeyFUHYBWNRWIXMOC-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.89
Rot. Bonds5

About N-(oxan-4-yl)-1-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide

N-(oxan-4-yl)-1-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide (PubChem CID 166604577) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(oxan-4-yl)-1-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-1-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
PubChem CID166604577
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-(oxan-4-yl)-1-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
SMILESO=C(NC1CCOCC1)C1CCCN(CCn2cccn2)C1
InChIInChI=1S/C16H26N4O2/c21-16(18-15-4-11-22-12-5-15)14-3-1-7-19(13-14)9-10-20-8-2-6-17-20/h2,6,8,14-15H,1,3-5,7,9-13H2,(H,18,21)
InChIKeyFUHYBWNRWIXMOC-UHFFFAOYSA-N
XLogP0.89
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431874
1-[(4-cyanophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431625
3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide
CID 71936022
1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide
CID 71984965
3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid
CID 81046095
1-isoquinolin-1-yl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431884
(3S)-1-(2-cyanoethyl)-N-cyclohexylpiperidine-3-carboxamide
CID 94216432
1-(3-morpholin-4-ylpropyl)-N-phenylpiperidine-3-carboxamide
CID 56798820
1-(3-morpholin-4-ylpropyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
CID 72924482
(4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 95130724
1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 53289357
(3R)-1-(3-morpholin-4-ylpropyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 25375014

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-1-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of N-(oxan-4-yl)-1-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide (CID 166604577) is N-(oxan-4-yl)-1-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-1-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-1-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide is O=C(NC1CCOCC1)C1CCCN(CCn2cccn2)C1.
What is the InChIKey of N-(oxan-4-yl)-1-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is FUHYBWNRWIXMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c21-16(18-15-4-11-22-12-5-15)14-3-1-7-19(13-14)9-10-20-8-2-6-17-20/h2,6,8,14-15H,1,3-5,7,9-13H2,(H,18,21).
What are the key properties of N-(oxan-4-yl)-1-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
N-(oxan-4-yl)-1-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-1-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 166604577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).