N-(3-pyrrolidin-1-ylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

C20H29N5O2S — CID 43935177

IUPACN-(3-pyrrolidin-1-ylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCCCN1CCCC1)C1CCCN(Cc2nc(-c3cccs3)no2)C1
InChIInChI=1S/C20H29N5O2S/c26-20(21-8-5-12-24-9-1-2-10-24)16-6-3-11-25(14-16)15-18-22-19(23-27-18)17-7-4-13-28-17/h4,7,13,16H,1-3,5-6,8-12,14-15H2,(H,21,26)
InChIKeyUZUOESPZTWYNCX-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.61
Rot. Bonds8

About N-(3-pyrrolidin-1-ylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

N-(3-pyrrolidin-1-ylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 43935177) has the molecular formula C20H29N5O2S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID43935177
Molecular FormulaC20H29N5O2S
Molecular Weight403.55 g/mol
Exact Mass403.20
IUPAC NameN-(3-pyrrolidin-1-ylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCCCN1CCCC1)C1CCCN(Cc2nc(-c3cccs3)no2)C1
InChIInChI=1S/C20H29N5O2S/c26-20(21-8-5-12-24-9-1-2-10-24)16-6-3-11-25(14-16)15-18-22-19(23-27-18)17-7-4-13-28-17/h4,7,13,16H,1-3,5-6,8-12,14-15H2,(H,21,26)
InChIKeyUZUOESPZTWYNCX-UHFFFAOYSA-N
XLogP2.61
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylpiperidin-1-yl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935179
N-(3-cyclohexylsulfanylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935234
N-(3-phenylsulfanylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935231
N-[3-(4-methylphenyl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935160
N-(2-phenylsulfanylethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934961
N-(pyridin-4-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934995
N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935240
N-propan-2-yl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934901
N-cyclopentyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934906
N-[2-(N-methylanilino)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935188
N-cyclohexyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934907
N-[(2-methylphenyl)methyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934971

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 43935177) is N-(3-pyrrolidin-1-ylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-pyrrolidin-1-ylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-pyrrolidin-1-ylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is O=C(NCCCN1CCCC1)C1CCCN(Cc2nc(-c3cccs3)no2)C1.
What is the InChIKey of N-(3-pyrrolidin-1-ylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is UZUOESPZTWYNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2S/c26-20(21-8-5-12-24-9-1-2-10-24)16-6-3-11-25(14-16)15-18-22-19(23-27-18)17-7-4-13-28-17/h4,7,13,16H,1-3,5-6,8-12,14-15H2,(H,21,26).
What are the key properties of N-(3-pyrrolidin-1-ylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
N-(3-pyrrolidin-1-ylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 403.55 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43935177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).