N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

C19H28N6O3S — CID 20958124

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CCCN(c2nnc(N3CCCC3=O)s2)C1
InChIInChI=1S/C19H28N6O3S/c26-15-6-2-9-23(15)11-4-8-20-17(28)14-5-1-10-24(13-14)18-21-22-19(29-18)25-12-3-7-16(25)27/h14H,1-13H2,(H,20,28)
InChIKeyJWAGNMWFWUFIRB-UHFFFAOYSA-N
MW420.54 g/mol
LogP1.01
Rot. Bonds7

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide (PubChem CID 20958124) has the molecular formula C19H28N6O3S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
PubChem CID20958124
Molecular FormulaC19H28N6O3S
Molecular Weight420.54 g/mol
Exact Mass420.19
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CCCN(c2nnc(N3CCCC3=O)s2)C1
InChIInChI=1S/C19H28N6O3S/c26-15-6-2-9-23(15)11-4-8-20-17(28)14-5-1-10-24(13-14)18-21-22-19(29-18)25-12-3-7-16(25)27/h14H,1-13H2,(H,20,28)
InChIKeyJWAGNMWFWUFIRB-UHFFFAOYSA-N
XLogP1.01
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.01
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide (CID 20958124) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide is O=C(NCCCN1CCCC1=O)C1CCCN(c2nnc(N3CCCC3=O)s2)C1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is JWAGNMWFWUFIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3S/c26-15-6-2-9-23(15)11-4-8-20-17(28)14-5-1-10-24(13-14)18-21-22-19(29-18)25-12-3-7-16(25)27/h14H,1-13H2,(H,20,28).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 20958124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).