N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide

C23H32N8O — CID 42519798

About N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide

N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide (PubChem CID 42519798) has the molecular formula C23H32N8O and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide.

Molecular Properties

• Compound Name: N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
• PubChem CID: 42519798
• Molecular Formula: C23H32N8O
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.27
• IUPAC Name: N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
• SMILES: CC1CCN(Cc2nnnn2CCCC(=O)N[C@H](Cn2ccnc2)c2ccccc2)CC1
• InChI: InChI=1S/C23H32N8O/c1-19-9-13-29(14-10-19)17-22-26-27-28-31(22)12-5-8-23(32)25-21(16-30-15-11-24-18-30)20-6-3-2-4-7-20/h2-4,6-7,11,15,18-19,21H,5,8-10,12-14,16-17H2,1H3,(H,25,32)/t21-/m1/s1
• InChIKey: KKMKMUJYGZYRBW-OAQYLSRUSA-N
• XLogP: 2.44
• TPSA: 93.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?

The IUPAC name of N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide (CID 42519798) is N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide.

What is the SMILES notation for N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?

The canonical SMILES for N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide is CC1CCN(Cc2nnnn2CCCC(=O)N[C@H](Cn2ccnc2)c2ccccc2)CC1.

What is the InChIKey of N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?

The InChIKey is KKMKMUJYGZYRBW-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H32N8O/c1-19-9-13-29(14-10-19)17-22-26-27-28-31(22)12-5-8-23(32)25-21(16-30-15-11-24-18-30)20-6-3-2-4-7-20/h2-4,6-7,11,15,18-19,21H,5,8-10,12-14,16-17H2,1H3,(H,25,32)/t21-/m1/s1.

What are the key properties of N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?

N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide has a molecular weight of 436.56 g/mol, XLogP of 2.44, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide is sourced from PubChem (CID 42519798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).