N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide

C24H31N3O3 — CID 100729262

IUPACN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
SMILESCOc1ccc(CN2CCC(CNC(=O)c3ccc4c(c3)N(C)CCO4)CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-26-13-14-30-23-8-5-20(15-22(23)26)24(28)25-16-18-9-11-27(12-10-18)17-19-3-6-21(29-2)7-4-19/h3-8,15,18H,9-14,16-17H2,1-2H3,(H,25,28)
InChIKeyVRPMAGGRLFYFEC-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.17
Rot. Bonds6

About N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide

N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide (PubChem CID 100729262) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
PubChem CID100729262
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
SMILESCOc1ccc(CN2CCC(CNC(=O)c3ccc4c(c3)N(C)CCO4)CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-26-13-14-30-23-8-5-20(15-22(23)26)24(28)25-16-18-9-11-27(12-10-18)17-19-3-6-21(29-2)7-4-19/h3-8,15,18H,9-14,16-17H2,1-2H3,(H,25,28)
InChIKeyVRPMAGGRLFYFEC-UHFFFAOYSA-N
XLogP3.17
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide with MolForge

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Related Compounds

N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60600387
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 52785552
3-hydroxy-N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95194185
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide
CID 154779710
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide
CID 154738097
N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 56707406

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide (CID 100729262) is N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide is COc1ccc(CN2CCC(CNC(=O)c3ccc4c(c3)N(C)CCO4)CC2)cc1.
What is the InChIKey of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The InChIKey is VRPMAGGRLFYFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-26-13-14-30-23-8-5-20(15-22(23)26)24(28)25-16-18-9-11-27(12-10-18)17-19-3-6-21(29-2)7-4-19/h3-8,15,18H,9-14,16-17H2,1-2H3,(H,25,28).
What are the key properties of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 100729262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).