N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]propanamide

C20H35N5O — CID 45230558

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]propanamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]propanamide (PubChem CID 45230558) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

• Compound Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]propanamide
• PubChem CID: 45230558
• Molecular Formula: C20H35N5O
• Molecular Weight: 361.53 g/mol
• Exact Mass: 361.28
• IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]propanamide
• SMILES: CCN1CCCC1CNC(=O)CCC1CCN(Cc2ncc(C)[nH]2)CC1
• InChI: InChI=1S/C20H35N5O/c1-3-25-10-4-5-18(25)14-22-20(26)7-6-17-8-11-24(12-9-17)15-19-21-13-16(2)23-19/h13,17-18H,3-12,14-15H2,1-2H3,(H,21,23)(H,22,26)
• InChIKey: FLNIVYIXCGGADA-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 64.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.53
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]propanamide?

The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]propanamide (CID 45230558) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]propanamide.

What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]propanamide?

The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]propanamide is CCN1CCCC1CNC(=O)CCC1CCN(Cc2ncc(C)[nH]2)CC1.

What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]propanamide?

The InChIKey is FLNIVYIXCGGADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O/c1-3-25-10-4-5-18(25)14-22-20(26)7-6-17-8-11-24(12-9-17)15-19-21-13-16(2)23-19/h13,17-18H,3-12,14-15H2,1-2H3,(H,21,23)(H,22,26).

What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]propanamide?

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]propanamide has a molecular weight of 361.53 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 45230558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).