5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one

C18H23N5O3 — CID 167762311

IUPAC5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=C(C1CCN(c2ccncc2)CC1)N1CCC(c2n[nH]c(=O)o2)CC1
InChIInChI=1S/C18H23N5O3/c24-17(14-5-9-22(10-6-14)15-1-7-19-8-2-15)23-11-3-13(4-12-23)16-20-21-18(25)26-16/h1-2,7-8,13-14H,3-6,9-12H2,(H,21,25)
InChIKeyDNTCRSCEXWKNBR-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.38
Rot. Bonds3

About 5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one

5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 167762311) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID167762311
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=C(C1CCN(c2ccncc2)CC1)N1CCC(c2n[nH]c(=O)o2)CC1
InChIInChI=1S/C18H23N5O3/c24-17(14-5-9-22(10-6-14)15-1-7-19-8-2-15)23-11-3-13(4-12-23)16-20-21-18(25)26-16/h1-2,7-8,13-14H,3-6,9-12H2,(H,21,25)
InChIKeyDNTCRSCEXWKNBR-UHFFFAOYSA-N
XLogP1.38
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one with MolForge

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Related Compounds

5-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154834014
5-[1-(4-oxocycloheptanecarbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154848200
piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride
CID 22721820
cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344
(3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride
CID 22721764
5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154857998
5-[1-[2-(thietan-3-yl)acetyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154866683
[1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 91838125
5-[1-(7-bromonaphthalene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154873486
morpholin-4-yl-(1-pyridin-4-ylazetidin-3-yl)methanone
CID 163357808
5-[1-(3-acetyl-3-azabicyclo[3.1.0]hexane-1-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154866343
3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid
CID 21462701

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one (CID 167762311) is 5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one is O=C(C1CCN(c2ccncc2)CC1)N1CCC(c2n[nH]c(=O)o2)CC1.
What is the InChIKey of 5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is DNTCRSCEXWKNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c24-17(14-5-9-22(10-6-14)15-1-7-19-8-2-15)23-11-3-13(4-12-23)16-20-21-18(25)26-16/h1-2,7-8,13-14H,3-6,9-12H2,(H,21,25).
What are the key properties of 5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 357.41 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 167762311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).