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

C23H30N4O3 — CID 99744388

IUPACN-butyl-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1
InChIInChI=1S/C23H30N4O3/c1-2-3-11-24-22(28)18-9-12-26(13-10-18)23(29)21-19-15-30-20(14-27(19)16-25-21)17-7-5-4-6-8-17/h4-8,16,18,20H,2-3,9-15H2,1H3,(H,24,28)/t20-/m1/s1
InChIKeyXEGICVUGHKCCST-HXUWFJFHSA-N
MW410.52 g/mol
LogP2.92
Rot. Bonds6

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

N-butyl-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (PubChem CID 99744388) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-butyl-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
PubChem CID99744388
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-butyl-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1
InChIInChI=1S/C23H30N4O3/c1-2-3-11-24-22(28)18-9-12-26(13-10-18)23(29)21-19-15-30-20(14-27(19)16-25-21)17-7-5-4-6-8-17/h4-8,16,18,20H,2-3,9-15H2,1H3,(H,24,28)/t20-/m1/s1
InChIKeyXEGICVUGHKCCST-HXUWFJFHSA-N
XLogP2.92
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-propylpiperidine-4-carboxamide
CID 91894808
N-butyl-1-[(6S)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744584
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
1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 99744650
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-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-[(6R)-6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 99744369
N-ethyl-1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 125126661
1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 91889502
N-[(3-fluorophenyl)methyl]-1-[(6R)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744261

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (CID 99744388) is N-butyl-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide is CCCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1.
What is the InChIKey of N-butyl-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?
The InChIKey is XEGICVUGHKCCST-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-2-3-11-24-22(28)18-9-12-26(13-10-18)23(29)21-19-15-30-20(14-27(19)16-25-21)17-7-5-4-6-8-17/h4-8,16,18,20H,2-3,9-15H2,1H3,(H,24,28)/t20-/m1/s1.
What are the key properties of N-butyl-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?
N-butyl-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 99744388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).