1-[4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidin-1-yl]pentan-1-one

C17H26N2O3 — CID 91051408

IUPAC1-[4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(CCCC(=O)c2ncco2)CC1
InChIInChI=1S/C17H26N2O3/c1-2-3-7-16(21)19-11-8-14(9-12-19)5-4-6-15(20)17-18-10-13-22-17/h10,13-14H,2-9,11-12H2,1H3
InChIKeyLYTREHIWZXTDFY-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.46
Rot. Bonds8

About 1-[4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidin-1-yl]pentan-1-one

1-[4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidin-1-yl]pentan-1-one (PubChem CID 91051408) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidin-1-yl]pentan-1-one
PubChem CID91051408
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(CCCC(=O)c2ncco2)CC1
InChIInChI=1S/C17H26N2O3/c1-2-3-7-16(21)19-11-8-14(9-12-19)5-4-6-15(20)17-18-10-13-22-17/h10,13-14H,2-9,11-12H2,1H3
InChIKeyLYTREHIWZXTDFY-UHFFFAOYSA-N
XLogP3.46
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidine-1-carboxylate
CID 16743430
1-[4-(2-methoxyethyl)piperidin-1-yl]pentan-1-one
CID 90437878
4-[1-[(2-chloroquinolin-3-yl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one
CID 16746754
6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one
CID 170126914
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one
CID 90494857
1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]butan-1-one
CID 53150958
1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one
CID 171554697
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
4-butyl-N,N-di(propan-2-yl)piperidine-1-carboxamide
CID 22970129
4-(1-benzofuran-2-yl)-1-(4-butylpiperidin-1-yl)butan-1-one
CID 69451352
1-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]pentan-1-one
CID 110411424

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidin-1-yl]pentan-1-one (CID 91051408) is 1-[4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidin-1-yl]pentan-1-one is CCCCC(=O)N1CCC(CCCC(=O)c2ncco2)CC1.
What is the InChIKey of 1-[4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidin-1-yl]pentan-1-one?
The InChIKey is LYTREHIWZXTDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-2-3-7-16(21)19-11-8-14(9-12-19)5-4-6-15(20)17-18-10-13-22-17/h10,13-14H,2-9,11-12H2,1H3.
What are the key properties of 1-[4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidin-1-yl]pentan-1-one?
1-[4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidin-1-yl]pentan-1-one has a molecular weight of 306.41 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 91051408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).