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

C29H38N4O3 — CID 134369683

IUPAC1-acetyl-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCC2)CC2CC2)C1
InChIInChI=1S/C29H38N4O3/c1-20(34)31-13-3-5-23(17-31)29(35)33(16-21-9-10-21)18-24-15-22(11-12-27(24)36-25-6-2-7-25)26-19-32-14-4-8-28(32)30-26/h11-12,15,19,21,23,25H,2-10,13-14,16-18H2,1H3
InChIKeyMCSPJZVYAOCSIO-UHFFFAOYSA-N
MW490.65 g/mol
LogP4.42
Rot. Bonds8

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

1-acetyl-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide (PubChem CID 134369683) has the molecular formula C29H38N4O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is 1-acetyl-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
PubChem CID134369683
Molecular FormulaC29H38N4O3
Molecular Weight490.65 g/mol
Exact Mass490.29
IUPAC Name1-acetyl-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCC2)CC2CC2)C1
InChIInChI=1S/C29H38N4O3/c1-20(34)31-13-3-5-23(17-31)29(35)33(16-21-9-10-21)18-24-15-22(11-12-27(24)36-25-6-2-7-25)26-19-32-14-4-8-28(32)30-26/h11-12,15,19,21,23,25H,2-10,13-14,16-18H2,1H3
InChIKeyMCSPJZVYAOCSIO-UHFFFAOYSA-N
XLogP4.42
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-acetyl-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide (CID 134369683) is 1-acetyl-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)N(Cc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCC2)CC2CC2)C1.
What is the InChIKey of 1-acetyl-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide?
The InChIKey is MCSPJZVYAOCSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O3/c1-20(34)31-13-3-5-23(17-31)29(35)33(16-21-9-10-21)18-24-15-22(11-12-27(24)36-25-6-2-7-25)26-19-32-14-4-8-28(32)30-26/h11-12,15,19,21,23,25H,2-10,13-14,16-18H2,1H3.
What are the key properties of 1-acetyl-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide?
1-acetyl-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide has a molecular weight of 490.65 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 134369683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).