N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide

C24H36N4O3 — CID 42154071

About N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide

N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide (PubChem CID 42154071) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
• PubChem CID: 42154071
• Molecular Formula: C24H36N4O3
• Molecular Weight: 428.58 g/mol
• Exact Mass: 428.28
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
• SMILES: COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3cnn(C(C)C)c3)C2)c(OC)c1
• InChI: InChI=1S/C24H36N4O3/c1-18(2)28-17-20(13-26-28)16-27-11-5-6-19(15-27)7-10-24(29)25-14-21-8-9-22(30-3)12-23(21)31-4/h8-9,12-13,17-19H,5-7,10-11,14-16H2,1-4H3,(H,25,29)/t19-/m0/s1
• InChIKey: JRPGMYWOUJBBCI-IBGZPJMESA-N
• XLogP: 3.79
• TPSA: 68.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.58
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide?

The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide (CID 42154071) is N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide.

What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide?

The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide is COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3cnn(C(C)C)c3)C2)c(OC)c1.

What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide?

The InChIKey is JRPGMYWOUJBBCI-IBGZPJMESA-N. The full InChI is InChI=1S/C24H36N4O3/c1-18(2)28-17-20(13-26-28)16-27-11-5-6-19(15-27)7-10-24(29)25-14-21-8-9-22(30-3)12-23(21)31-4/h8-9,12-13,17-19H,5-7,10-11,14-16H2,1-4H3,(H,25,29)/t19-/m0/s1.

What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide?

N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide has a molecular weight of 428.58 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 42154071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).