1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide

C27H30N4O3 — CID 91889502

IUPAC1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1)c1ccccc1
InChIInChI=1S/C27H30N4O3/c1-19(20-8-4-2-5-9-20)29-26(32)22-12-14-30(15-13-22)27(33)25-23-17-34-24(16-31(23)18-28-25)21-10-6-3-7-11-21/h2-11,18-19,22,24H,12-17H2,1H3,(H,29,32)
InChIKeyMRBSEWSQWAMPEE-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.88
Rot. Bonds5

About 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide

1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide (PubChem CID 91889502) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
PubChem CID91889502
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1)c1ccccc1
InChIInChI=1S/C27H30N4O3/c1-19(20-8-4-2-5-9-20)29-26(32)22-12-14-30(15-13-22)27(33)25-23-17-34-24(16-31(23)18-28-25)21-10-6-3-7-11-21/h2-11,18-19,22,24H,12-17H2,1H3,(H,29,32)
InChIKeyMRBSEWSQWAMPEE-UHFFFAOYSA-N
XLogP3.88
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[(6R)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99748402
1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 99744304
1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 91889541
N-cyclopropyl-1-[(6R)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744253
1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 99744394
1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-propylpiperidine-4-carboxamide
CID 91894808
N-[2-(dimethylamino)ethyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
CID 91894786
N-butyl-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744388
1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 91894813
N-[(2-chlorophenyl)methyl]-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744414
N-(cyclohexylmethyl)-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744438
N-(3-chloro-4-methoxyphenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
CID 91889644

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide (CID 91889502) is 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1)c1ccccc1.
What is the InChIKey of 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The InChIKey is MRBSEWSQWAMPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-19(20-8-4-2-5-9-20)29-26(32)22-12-14-30(15-13-22)27(33)25-23-17-34-24(16-31(23)18-28-25)21-10-6-3-7-11-21/h2-11,18-19,22,24H,12-17H2,1H3,(H,29,32).
What are the key properties of 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 91889502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).