(3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

C23H37N5O — CID 95557331

About (3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

(3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95557331) has the molecular formula C23H37N5O and a molecular weight of 399.58 g/mol. Its IUPAC name is (3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
• PubChem CID: 95557331
• Molecular Formula: C23H37N5O
• Molecular Weight: 399.58 g/mol
• Exact Mass: 399.30
• IUPAC Name: (3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
• SMILES: CN1CCC(NC(=O)[C@@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)CC1
• InChI: InChI=1S/C23H37N5O/c1-26-13-6-21(7-14-26)25-23(29)20-3-2-12-28(18-20)22-8-15-27(16-9-22)17-19-4-10-24-11-5-19/h4-5,10-11,20-22H,2-3,6-9,12-18H2,1H3,(H,25,29)/t20-/m1/s1
• InChIKey: HLNMZRFUCHNTFN-HXUWFJFHSA-N
• XLogP: 1.97
• TPSA: 51.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.58
LogP ≤ 5	1.97
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)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 95557331) is (3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is CN1CCC(NC(=O)[C@@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)CC1.

What is the InChIKey of (3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?

The InChIKey is HLNMZRFUCHNTFN-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H37N5O/c1-26-13-6-21(7-14-26)25-23(29)20-3-2-12-28(18-20)22-8-15-27(16-9-22)17-19-4-10-24-11-5-19/h4-5,10-11,20-22H,2-3,6-9,12-18H2,1H3,(H,25,29)/t20-/m1/s1.

What are the key properties of (3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?

(3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 399.58 g/mol, XLogP of 1.97, 5 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)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95557331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).