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

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

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide (PubChem CID 3245963) has the molecular formula C22H36N6O2S and a molecular weight of 448.64 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name	N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
PubChem CID	3245963
Molecular Formula	C22H36N6O2S
Molecular Weight	448.64 g/mol
Exact Mass	448.26
IUPAC Name	N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
SMILES	CC1CC(C)CN(CCCNC(=O)C2CCCN(c3nnc(N4CCCC4=O)s3)C2)C1
InChI	InChI=1S/C22H36N6O2S/c1-16-12-17(2)14-26(13-16)9-5-8-23-20(30)18-6-3-10-27(15-18)21-24-25-22(31-21)28-11-4-7-19(28)29/h16-18H,3-15H2,1-2H3,(H,23,30)
InChIKey	JUYUFPQHYYORJK-UHFFFAOYSA-N
XLogP	2.37
TPSA	81.67 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.64
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?

The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide (CID 3245963) is N-[3-(3,5-dimethylpiperidin-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-(3,5-dimethylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?

The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide is CC1CC(C)CN(CCCNC(=O)C2CCCN(c3nnc(N4CCCC4=O)s3)C2)C1.

What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?

The InChIKey is JUYUFPQHYYORJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N6O2S/c1-16-12-17(2)14-26(13-16)9-5-8-23-20(30)18-6-3-10-27(15-18)21-24-25-22(31-21)28-11-4-7-19(28)29/h16-18H,3-15H2,1-2H3,(H,23,30).

What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 448.64 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 3245963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).