N-[[(3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-2-methylpropanamide

C19H31N3O2 — CID 95182196

About N-[[(3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-2-methylpropanamide

N-[[(3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-2-methylpropanamide (PubChem CID 95182196) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[[(3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[[(3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-2-methylpropanamide
• PubChem CID: 95182196
• Molecular Formula: C19H31N3O2
• Molecular Weight: 333.48 g/mol
• Exact Mass: 333.24
• IUPAC Name: N-[[(3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-2-methylpropanamide
• SMILES: COc1c(C)cnc(CN2CCC[C@@H](CNC(=O)C(C)C)C2)c1C
• InChI: InChI=1S/C19H31N3O2/c1-13(2)19(23)21-10-16-7-6-8-22(11-16)12-17-15(4)18(24-5)14(3)9-20-17/h9,13,16H,6-8,10-12H2,1-5H3,(H,21,23)/t16-/m0/s1
• InChIKey: GTZQWEPGSODQFW-INIZCTEOSA-N
• XLogP: 2.69
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.48
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-2-methylpropanamide?

The IUPAC name of N-[[(3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-2-methylpropanamide (CID 95182196) is N-[[(3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-2-methylpropanamide.

What is the SMILES notation for N-[[(3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-2-methylpropanamide?

The canonical SMILES for N-[[(3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-2-methylpropanamide is COc1c(C)cnc(CN2CCC[C@@H](CNC(=O)C(C)C)C2)c1C.

What is the InChIKey of N-[[(3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-2-methylpropanamide?

The InChIKey is GTZQWEPGSODQFW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-13(2)19(23)21-10-16-7-6-8-22(11-16)12-17-15(4)18(24-5)14(3)9-20-17/h9,13,16H,6-8,10-12H2,1-5H3,(H,21,23)/t16-/m0/s1.

What are the key properties of N-[[(3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-2-methylpropanamide?

N-[[(3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-2-methylpropanamide has a molecular weight of 333.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 95182196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).