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

C24H32N4O4 — CID 99744584

IUPACN-butyl-1-[(6S)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(OC)cc2)C3)CC1
InChIInChI=1S/C24H32N4O4/c1-3-4-11-25-23(29)18-9-12-27(13-10-18)24(30)22-20-15-32-21(14-28(20)16-26-22)17-5-7-19(31-2)8-6-17/h5-8,16,18,21H,3-4,9-15H2,1-2H3,(H,25,29)/t21-/m1/s1
InChIKeyUMRFDTRRUBVPRB-OAQYLSRUSA-N
MW440.54 g/mol
LogP2.93
Rot. Bonds7

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

N-butyl-1-[(6S)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (PubChem CID 99744584) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-butyl-1-[(6S)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[(6S)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
PubChem CID99744584
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC NameN-butyl-1-[(6S)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(OC)cc2)C3)CC1
InChIInChI=1S/C24H32N4O4/c1-3-4-11-25-23(29)18-9-12-27(13-10-18)24(30)22-20-15-32-21(14-28(20)16-26-22)17-5-7-19(31-2)8-6-17/h5-8,16,18,21H,3-4,9-15H2,1-2H3,(H,25,29)/t21-/m1/s1
InChIKeyUMRFDTRRUBVPRB-OAQYLSRUSA-N
XLogP2.93
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 99744606
N-[(4-methoxyphenyl)methyl]-1-[6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 91889613
1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-propylpiperidine-4-carboxamide
CID 91894808
[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]-piperidin-1-ylmethanone
CID 91894328
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-[(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-(cyclopropylmethyl)-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 125127777
N-(3,4-difluorophenyl)-1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744494
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
[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]-morpholin-4-ylmethanone
CID 91894326
N-(3-chlorophenyl)-1-[(6R)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744498

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[(6S)-6-(4-methoxyphenyl)-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-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (CID 99744584) is N-butyl-1-[(6S)-6-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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](c2ccc(OC)cc2)C3)CC1.
What is the InChIKey of N-butyl-1-[(6S)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?
The InChIKey is UMRFDTRRUBVPRB-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-3-4-11-25-23(29)18-9-12-27(13-10-18)24(30)22-20-15-32-21(14-28(20)16-26-22)17-5-7-19(31-2)8-6-17/h5-8,16,18,21H,3-4,9-15H2,1-2H3,(H,25,29)/t21-/m1/s1.
What are the key properties of N-butyl-1-[(6S)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?
N-butyl-1-[(6S)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[(6S)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 99744584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).