1-acetyl-N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]piperidine-3-carboxamide

C29H39N5O3 — CID 134369700

About 1-acetyl-N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]piperidine-3-carboxamide

1-acetyl-N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]piperidine-3-carboxamide (PubChem CID 134369700) has the molecular formula C29H39N5O3 and a molecular weight of 505.66 g/mol. Its IUPAC name is 1-acetyl-N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-acetyl-N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]piperidine-3-carboxamide
• PubChem CID: 134369700
• Molecular Formula: C29H39N5O3
• Molecular Weight: 505.66 g/mol
• Exact Mass: 505.31
• IUPAC Name: 1-acetyl-N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]piperidine-3-carboxamide
• SMILES: CC(=O)N1CCCC(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2N2CCOCC2)CC2CC2)C1
• InChI: InChI=1S/C29H39N5O3/c1-21(35)32-10-2-4-24(18-32)29(36)34(17-22-6-7-22)19-25-16-23(26-20-33-11-3-5-28(33)30-26)8-9-27(25)31-12-14-37-15-13-31/h8-9,16,20,22,24H,2-7,10-15,17-19H2,1H3
• InChIKey: GIWPBUHTHDGWSE-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 70.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.66
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]piperidine-3-carboxamide?

The IUPAC name of 1-acetyl-N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]piperidine-3-carboxamide (CID 134369700) is 1-acetyl-N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-acetyl-N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]piperidine-3-carboxamide?

The canonical SMILES for 1-acetyl-N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2N2CCOCC2)CC2CC2)C1.

What is the InChIKey of 1-acetyl-N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]piperidine-3-carboxamide?

The InChIKey is GIWPBUHTHDGWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5O3/c1-21(35)32-10-2-4-24(18-32)29(36)34(17-22-6-7-22)19-25-16-23(26-20-33-11-3-5-28(33)30-26)8-9-27(25)31-12-14-37-15-13-31/h8-9,16,20,22,24H,2-7,10-15,17-19H2,1H3.

What are the key properties of 1-acetyl-N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]piperidine-3-carboxamide?

1-acetyl-N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]piperidine-3-carboxamide has a molecular weight of 505.66 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-N-(cyclopropylmethyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 134369700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).