(3S)-N-cyclopropyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide

C20H33N5O2 — CID 95503021

About (3S)-N-cyclopropyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide

(3S)-N-cyclopropyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95503021) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-cyclopropyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
• PubChem CID: 95503021
• Molecular Formula: C20H33N5O2
• Molecular Weight: 375.52 g/mol
• Exact Mass: 375.26
• IUPAC Name: (3S)-N-cyclopropyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
• SMILES: CC(C)c1noc(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1
• InChI: InChI=1S/C20H33N5O2/c1-14(2)19-22-18(27-23-19)13-24-10-7-17(8-11-24)25-9-3-4-15(12-25)20(26)21-16-5-6-16/h14-17H,3-13H2,1-2H3,(H,21,26)/t15-/m0/s1
• InChIKey: KORVYYBXBDLVSH-HNNXBMFYSA-N
• XLogP: 2.15
• TPSA: 74.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.52
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?

The IUPAC name of (3S)-N-cyclopropyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide (CID 95503021) is (3S)-N-cyclopropyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-cyclopropyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-N-cyclopropyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide is CC(C)c1noc(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1.

What is the InChIKey of (3S)-N-cyclopropyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?

The InChIKey is KORVYYBXBDLVSH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-14(2)19-22-18(27-23-19)13-24-10-7-17(8-11-24)25-9-3-4-15(12-25)20(26)21-16-5-6-16/h14-17H,3-13H2,1-2H3,(H,21,26)/t15-/m0/s1.

What are the key properties of (3S)-N-cyclopropyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?

(3S)-N-cyclopropyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-cyclopropyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95503021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).