N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

C18H29N5O3S — CID 154819627

About N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 154819627) has the molecular formula C18H29N5O3S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
• PubChem CID: 154819627
• Molecular Formula: C18H29N5O3S
• Molecular Weight: 395.53 g/mol
• Exact Mass: 395.20
• IUPAC Name: N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
• SMILES: CCCc1nnc(N2CC(C(=O)NCCN3CCC(CO)CC3)CC2=O)s1
• InChI: InChI=1S/C18H29N5O3S/c1-2-3-15-20-21-18(27-15)23-11-14(10-16(23)25)17(26)19-6-9-22-7-4-13(12-24)5-8-22/h13-14,24H,2-12H2,1H3,(H,19,26)
• InChIKey: XGICXCROPBADIB-UHFFFAOYSA-N
• XLogP: 0.66
• TPSA: 98.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.53
LogP ≤ 5	0.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?

The IUPAC name of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 154819627) is N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

What is the SMILES notation for N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?

The canonical SMILES for N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is CCCc1nnc(N2CC(C(=O)NCCN3CCC(CO)CC3)CC2=O)s1.

What is the InChIKey of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?

The InChIKey is XGICXCROPBADIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3S/c1-2-3-15-20-21-18(27-15)23-11-14(10-16(23)25)17(26)19-6-9-22-7-4-13(12-24)5-8-22/h13-14,24H,2-12H2,1H3,(H,19,26).

What are the key properties of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?

N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 154819627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).