(3R)-N-(1-methylpiperidin-4-yl)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carboxamide

C20H31N5O2 — CID 129472588

About (3R)-N-(1-methylpiperidin-4-yl)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carboxamide

(3R)-N-(1-methylpiperidin-4-yl)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carboxamide (PubChem CID 129472588) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (3R)-N-(1-methylpiperidin-4-yl)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(1-methylpiperidin-4-yl)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carboxamide
• PubChem CID: 129472588
• Molecular Formula: C20H31N5O2
• Molecular Weight: 373.50 g/mol
• Exact Mass: 373.25
• IUPAC Name: (3R)-N-(1-methylpiperidin-4-yl)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carboxamide
• SMILES: CN1CCC(NC(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)CC1
• InChI: InChI=1S/C20H31N5O2/c1-23-12-6-16(7-13-23)22-20(26)25-14-8-17(15-25)27-18-5-4-9-21-19(18)24-10-2-3-11-24/h4-5,9,16-17H,2-3,6-8,10-15H2,1H3,(H,22,26)/t17-/m1/s1
• InChIKey: MFGHMLBVYLZDDH-QGZVFWFLSA-N
• XLogP: 1.94
• TPSA: 60.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.50
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-methylpiperidin-4-yl)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carboxamide?

The IUPAC name of (3R)-N-(1-methylpiperidin-4-yl)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carboxamide (CID 129472588) is (3R)-N-(1-methylpiperidin-4-yl)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carboxamide.

What is the SMILES notation for (3R)-N-(1-methylpiperidin-4-yl)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carboxamide?

The canonical SMILES for (3R)-N-(1-methylpiperidin-4-yl)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carboxamide is CN1CCC(NC(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)CC1.

What is the InChIKey of (3R)-N-(1-methylpiperidin-4-yl)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carboxamide?

The InChIKey is MFGHMLBVYLZDDH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-23-12-6-16(7-13-23)22-20(26)25-14-8-17(15-25)27-18-5-4-9-21-19(18)24-10-2-3-11-24/h4-5,9,16-17H,2-3,6-8,10-15H2,1H3,(H,22,26)/t17-/m1/s1.

What are the key properties of (3R)-N-(1-methylpiperidin-4-yl)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carboxamide?

(3R)-N-(1-methylpiperidin-4-yl)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(1-methylpiperidin-4-yl)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carboxamide is sourced from PubChem (CID 129472588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).