(3R)-N-cyclopropyl-1-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide

C22H35N5O — CID 95551879

About (3R)-N-cyclopropyl-1-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide

(3R)-N-cyclopropyl-1-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95551879) has the molecular formula C22H35N5O and a molecular weight of 385.56 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-cyclopropyl-1-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
• PubChem CID: 95551879
• Molecular Formula: C22H35N5O
• Molecular Weight: 385.56 g/mol
• Exact Mass: 385.28
• IUPAC Name: (3R)-N-cyclopropyl-1-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
• SMILES: Cc1nc(C(C)C)cc(N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1
• InChI: InChI=1S/C22H35N5O/c1-15(2)20-13-21(24-16(3)23-20)26-11-8-19(9-12-26)27-10-4-5-17(14-27)22(28)25-18-6-7-18/h13,15,17-19H,4-12,14H2,1-3H3,(H,25,28)/t17-/m1/s1
• InChIKey: IBUWBXUWCQQWLI-QGZVFWFLSA-N
• XLogP: 2.87
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.56
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-1-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-cyclopropyl-1-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide (CID 95551879) is (3R)-N-cyclopropyl-1-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-cyclopropyl-1-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-cyclopropyl-1-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide is Cc1nc(C(C)C)cc(N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1.

What is the InChIKey of (3R)-N-cyclopropyl-1-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide?

The InChIKey is IBUWBXUWCQQWLI-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H35N5O/c1-15(2)20-13-21(24-16(3)23-20)26-11-8-19(9-12-26)27-10-4-5-17(14-27)22(28)25-18-6-7-18/h13,15,17-19H,4-12,14H2,1-3H3,(H,25,28)/t17-/m1/s1.

What are the key properties of (3R)-N-cyclopropyl-1-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide?

(3R)-N-cyclopropyl-1-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 385.56 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-cyclopropyl-1-[1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95551879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).