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

C29H34N4O3 — CID 91889610

IUPACN-[(4-ethylphenyl)methyl]-1-[6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCN(C(=O)c3ncn4c3COC(c3ccc(C)cc3)C4)CC2)cc1
InChIInChI=1S/C29H34N4O3/c1-3-21-6-8-22(9-7-21)16-30-28(34)24-12-14-32(15-13-24)29(35)27-25-18-36-26(17-33(25)19-31-27)23-10-4-20(2)5-11-23/h4-11,19,24,26H,3,12-18H2,1-2H3,(H,30,34)
InChIKeyJHEGPUIDHBNHGO-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.19
Rot. Bonds6

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

N-[(4-ethylphenyl)methyl]-1-[6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (PubChem CID 91889610) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1-[6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1-[6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
PubChem CID91889610
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC NameN-[(4-ethylphenyl)methyl]-1-[6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCN(C(=O)c3ncn4c3COC(c3ccc(C)cc3)C4)CC2)cc1
InChIInChI=1S/C29H34N4O3/c1-3-21-6-8-22(9-7-21)16-30-28(34)24-12-14-32(15-13-24)29(35)27-25-18-36-26(17-33(25)19-31-27)23-10-4-20(2)5-11-23/h4-11,19,24,26H,3,12-18H2,1-2H3,(H,30,34)
InChIKeyJHEGPUIDHBNHGO-UHFFFAOYSA-N
XLogP4.19
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 99744280
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
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-chlorophenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744638
N-(2,2-difluoroethyl)-1-[(6S)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 125127869
1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 91889544
1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 125127707
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
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
N-cyclopentyl-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99755469
N-[(2-methoxyphenyl)methyl]-1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744625
1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 99756700

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1-[6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1-[6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (CID 91889610) is N-[(4-ethylphenyl)methyl]-1-[6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1-[6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1-[6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide is CCc1ccc(CNC(=O)C2CCN(C(=O)c3ncn4c3COC(c3ccc(C)cc3)C4)CC2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1-[6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?
The InChIKey is JHEGPUIDHBNHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-3-21-6-8-22(9-7-21)16-30-28(34)24-12-14-32(15-13-24)29(35)27-25-18-36-26(17-33(25)19-31-27)23-10-4-20(2)5-11-23/h4-11,19,24,26H,3,12-18H2,1-2H3,(H,30,34).
What are the key properties of N-[(4-ethylphenyl)methyl]-1-[6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?
N-[(4-ethylphenyl)methyl]-1-[6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1-[6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 91889610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).