(3S)-3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide

C18H23N5O3 — CID 97155010

IUPAC(3S)-3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@H](C(=O)NCCc2nc(Cc3ccccc3)no2)C1
InChIInChI=1S/C18H23N5O3/c19-18(25)23-10-4-7-14(12-23)17(24)20-9-8-16-21-15(22-26-16)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H2,19,25)(H,20,24)/t14-/m0/s1
InChIKeyIVMSHYIFYMXBSM-AWEZNQCLSA-N
MW357.41 g/mol
LogP1.11
Rot. Bonds6

About (3S)-3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide

(3S)-3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide (PubChem CID 97155010) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (3S)-3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide
PubChem CID97155010
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name(3S)-3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@H](C(=O)NCCc2nc(Cc3ccccc3)no2)C1
InChIInChI=1S/C18H23N5O3/c19-18(25)23-10-4-7-14(12-23)17(24)20-9-8-16-21-15(22-26-16)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H2,19,25)(H,20,24)/t14-/m0/s1
InChIKeyIVMSHYIFYMXBSM-AWEZNQCLSA-N
XLogP1.11
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 97189926
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
CID 47437849
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
(3S)-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 97119837
(3S)-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97109601
(3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081950
(3R)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081948
(3S)-3-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97188441
(2S)-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-dioxane-2-carboxamide
CID 125172158
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide
CID 118781230
(3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 95160101
(3R)-3-N-[2-(2,3-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 95156511

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide (CID 97155010) is (3S)-3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide is NC(=O)N1CCC[C@H](C(=O)NCCc2nc(Cc3ccccc3)no2)C1.
What is the InChIKey of (3S)-3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide?
The InChIKey is IVMSHYIFYMXBSM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N5O3/c19-18(25)23-10-4-7-14(12-23)17(24)20-9-8-16-21-15(22-26-16)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H2,19,25)(H,20,24)/t14-/m0/s1.
What are the key properties of (3S)-3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide?
(3S)-3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 97155010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).