[2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone

C21H25N3O3 — CID 53031921

IUPAC[2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccccc1-c1ocnc1C(=O)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C21H25N3O3/c25-20(23-11-5-1-6-12-23)17-10-4-3-9-16(17)19-18(22-15-27-19)21(26)24-13-7-2-8-14-24/h3-4,9-10,15H,1-2,5-8,11-14H2
InChIKeyXNUVGGRJWSVAGH-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.59
Rot. Bonds3

About [2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone

[2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone (PubChem CID 53031921) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is [2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
PubChem CID53031921
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name[2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccccc1-c1ocnc1C(=O)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C21H25N3O3/c25-20(23-11-5-1-6-12-23)17-10-4-3-9-16(17)19-18(22-15-27-19)21(26)24-13-7-2-8-14-24/h3-4,9-10,15H,1-2,5-8,11-14H2
InChIKeyXNUVGGRJWSVAGH-UHFFFAOYSA-N
XLogP3.59
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-1-yl-[2-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122822
azepan-1-yl-[2-[4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122960
azepan-1-yl-[2-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122967
[2-[4-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 95090568
[2-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 95090567
N-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 53122805
5-[2-(azepane-1-carbonyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]-1,3-oxazole-4-carboxamide
CID 95090581
5-[2-(azepane-1-carbonyl)phenyl]-N-(1,3-benzodioxol-5-ylmethyl)-1,3-oxazole-4-carboxamide
CID 53122961
N-[3-[benzyl(methyl)amino]propyl]-5-[2-(piperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 53122841
N-(2-chlorophenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 53122853
5-(2-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 126468353
ethyl 5-[2-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxylate
CID 46387154

Frequently Asked Questions

What is the IUPAC name of [2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone (CID 53031921) is [2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone is O=C(c1ccccc1-c1ocnc1C(=O)N1CCCCC1)N1CCCCC1.
What is the InChIKey of [2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is XNUVGGRJWSVAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-20(23-11-5-1-6-12-23)17-10-4-3-9-16(17)19-18(22-15-27-19)21(26)24-13-7-2-8-14-24/h3-4,9-10,15H,1-2,5-8,11-14H2.
What are the key properties of [2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone?
[2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 367.45 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53031921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).