1-(4,7-dimethylquinazolin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide

C28H34N4O2 — CID 42246429

IUPAC1-(4,7-dimethylquinazolin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc2c(C)nc(N3CCC(C(=O)NCC4(c5ccccc5)CCOCC4)CC3)nc2c1
InChIInChI=1S/C28H34N4O2/c1-20-8-9-24-21(2)30-27(31-25(24)18-20)32-14-10-22(11-15-32)26(33)29-19-28(12-16-34-17-13-28)23-6-4-3-5-7-23/h3-9,18,22H,10-17,19H2,1-2H3,(H,29,33)
InChIKeyLRHQIEGBHJOESX-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.33
Rot. Bonds5

About 1-(4,7-dimethylquinazolin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide

1-(4,7-dimethylquinazolin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 42246429) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 1-(4,7-dimethylquinazolin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,7-dimethylquinazolin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
PubChem CID42246429
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name1-(4,7-dimethylquinazolin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc2c(C)nc(N3CCC(C(=O)NCC4(c5ccccc5)CCOCC4)CC3)nc2c1
InChIInChI=1S/C28H34N4O2/c1-20-8-9-24-21(2)30-27(31-25(24)18-20)32-14-10-22(11-15-32)26(33)29-19-28(12-16-34-17-13-28)23-6-4-3-5-7-23/h3-9,18,22H,10-17,19H2,1-2H3,(H,29,33)
InChIKeyLRHQIEGBHJOESX-UHFFFAOYSA-N
XLogP4.33
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4,7-dimethylquinazolin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
CID 56921660
1-(4-methylphenyl)sulfonyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 133168162
(2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
CID 120623333
1-[(3-chlorophenyl)methyl]-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
CID 100500131
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296
1-(4-methylquinazolin-2-yl)-N-(2-naphthalen-2-ylethyl)piperidine-4-carboxamide
CID 26275494
(3R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42368186
cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 99779324
(3S)-1-ethylsulfonyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 98004889
1-(4,7-dimethylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-4-carboxamide
CID 42274559
7-methyl-4-methylsulfonyl-N-[(4-phenyloxan-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 133161015
3-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731085

Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dimethylquinazolin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4,7-dimethylquinazolin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide (CID 42246429) is 1-(4,7-dimethylquinazolin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,7-dimethylquinazolin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4,7-dimethylquinazolin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide is Cc1ccc2c(C)nc(N3CCC(C(=O)NCC4(c5ccccc5)CCOCC4)CC3)nc2c1.
What is the InChIKey of 1-(4,7-dimethylquinazolin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is LRHQIEGBHJOESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-20-8-9-24-21(2)30-27(31-25(24)18-20)32-14-10-22(11-15-32)26(33)29-19-28(12-16-34-17-13-28)23-6-4-3-5-7-23/h3-9,18,22H,10-17,19H2,1-2H3,(H,29,33).
What are the key properties of 1-(4,7-dimethylquinazolin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide?
1-(4,7-dimethylquinazolin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 458.61 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dimethylquinazolin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 42246429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).