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

C24H25N5O3 — CID 91894813

IUPAC1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccncc1)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1
InChIInChI=1S/C24H25N5O3/c30-23(27-19-6-10-25-11-7-19)18-8-12-28(13-9-18)24(31)22-20-15-32-21(14-29(20)16-26-22)17-4-2-1-3-5-17/h1-7,10-11,16,18,21H,8-9,12-15H2,(H,25,27,30)
InChIKeyLXKJQXXOOBLIDT-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.04
Rot. Bonds4

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

1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 91894813) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID91894813
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccncc1)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1
InChIInChI=1S/C24H25N5O3/c30-23(27-19-6-10-25-11-7-19)18-8-12-28(13-9-18)24(31)22-20-15-32-21(14-29(20)16-26-22)17-4-2-1-3-5-17/h1-7,10-11,16,18,21H,8-9,12-15H2,(H,25,27,30)
InChIKeyLXKJQXXOOBLIDT-UHFFFAOYSA-N
XLogP3.04
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
CID 91917187
N-cyclopropyl-1-[(6R)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744253
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
N-(3-fluorophenyl)-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 91889662
1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-propylpiperidine-4-carboxamide
CID 91894808
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-[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-[(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-butyl-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744388
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
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

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-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide (CID 91894813) is 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-pyridin-4-ylpiperidine-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-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide is O=C(Nc1ccncc1)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1.
What is the InChIKey of 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is LXKJQXXOOBLIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c30-23(27-19-6-10-25-11-7-19)18-8-12-28(13-9-18)24(31)22-20-15-32-21(14-29(20)16-26-22)17-4-2-1-3-5-17/h1-7,10-11,16,18,21H,8-9,12-15H2,(H,25,27,30).
What are the key properties of 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide?
1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 91894813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).