N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide

C16H18N4O3 — CID 90521311

IUPACN-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1ccno1
InChIInChI=1S/C16H18N4O3/c21-15(14-3-7-19-23-14)18-10-12-4-8-20(9-5-12)16(22)13-2-1-6-17-11-13/h1-3,6-7,11-12H,4-5,8-10H2,(H,18,21)
InChIKeyFKBGTNXKDGAHBR-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.35
Rot. Bonds4

About N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide

N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 90521311) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID90521311
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC NameN-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1ccno1
InChIInChI=1S/C16H18N4O3/c21-15(14-3-7-19-23-14)18-10-12-4-8-20(9-5-12)16(22)13-2-1-6-17-11-13/h1-3,6-7,11-12H,4-5,8-10H2,(H,18,21)
InChIKeyFKBGTNXKDGAHBR-UHFFFAOYSA-N
XLogP1.35
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 90521319
2-(3-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 108924769
N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924745
2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521437
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312
3-methoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924717
N'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786323
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 90521329
3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924798
3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
CID 90521307
N-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924742

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide (CID 90521311) is N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide is O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1ccno1.
What is the InChIKey of N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is FKBGTNXKDGAHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-15(14-3-7-19-23-14)18-10-12-4-8-20(9-5-12)16(22)13-2-1-6-17-11-13/h1-3,6-7,11-12H,4-5,8-10H2,(H,18,21).
What are the key properties of N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90521311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).