1-methyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine

C46H58N4O9 — CID 159892973

IUPAC1-methyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
SMILESCN1CCC(C(=O)NC[C@@H]2COc3ccc(OCc4ccccc4)cc3O2)CC1.CN1CCC(C(=O)O)CC1.NC[C@@H]1COc2ccc(OCc3ccccc3)cc2O1
InChIInChI=1S/C23H28N2O4.C16H17NO3.C7H13NO2/c1-25-11-9-18(10-12-25)23(26)24-14-20-16-28-21-8-7-19(13-22(21)29-20)27-15-17-5-3-2-4-6-17;17-9-14-11-19-15-7-6-13(8-16(15)20-14)18-10-12-4-2-1-3-5-12;1-8-4-2-6(3-5-8)7(9)10/h2-8,13,18,20H,9-12,14-16H2,1H3,(H,24,26);1-8,14H,9-11,17H2;6H,2-5H2,1H3,(H,9,10)/t20-;14-;/m11./s1
InChIKeyNUZKYMOLCCFGLZ-MUNUKQKRSA-N
MW810.99 g/mol
LogP5.64
Rot. Bonds11

About 1-methyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine

1-methyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine (PubChem CID 159892973) has the molecular formula C46H58N4O9 and a molecular weight of 810.99 g/mol. Its IUPAC name is 1-methyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine.

Molecular Properties

Compound Name1-methyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
PubChem CID159892973
Molecular FormulaC46H58N4O9
Molecular Weight810.99 g/mol
Exact Mass810.42
IUPAC Name1-methyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
SMILESCN1CCC(C(=O)NC[C@@H]2COc3ccc(OCc4ccccc4)cc3O2)CC1.CN1CCC(C(=O)O)CC1.NC[C@@H]1COc2ccc(OCc3ccccc3)cc2O1
InChIInChI=1S/C23H28N2O4.C16H17NO3.C7H13NO2/c1-25-11-9-18(10-12-25)23(26)24-14-20-16-28-21-8-7-19(13-22(21)29-20)27-15-17-5-3-2-4-6-17;17-9-14-11-19-15-7-6-13(8-16(15)20-14)18-10-12-4-2-1-3-5-12;1-8-4-2-6(3-5-8)7(9)10/h2-8,13,18,20H,9-12,14-16H2,1H3,(H,24,26);1-8,14H,9-11,17H2;6H,2-5H2,1H3,(H,9,10)/t20-;14-;/m11./s1
InChIKeyNUZKYMOLCCFGLZ-MUNUKQKRSA-N
XLogP5.64
TPSA154.28 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500810.99
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 1-methyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine with MolForge

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Related Compounds

1-methyl-N-[[(3R)-6-[(4-methylphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide
CID 139362391
N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide
CID 139362356
1-(furan-2-ylmethyl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide
CID 153328855
1-(oxan-4-yl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]methanamine
CID 139348013
[(3R)-6-[(4-methoxyphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 139348032
1-benzyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-amine
CID 139348054
(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 139348002
N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-piperidin-3-ylmethanamine
CID 139347976
1-(1,3-benzoxazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide
CID 16594880
1-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N-methylpiperidine-1,4-dicarboxamide
CID 71900515
6-phenylmethoxy-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 139362389
3-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylpropanamide
CID 156622032

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine?
The IUPAC name of 1-methyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine (CID 159892973) is 1-methyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine.
What is the SMILES notation for 1-methyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine?
The canonical SMILES for 1-methyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine is CN1CCC(C(=O)NC[C@@H]2COc3ccc(OCc4ccccc4)cc3O2)CC1.CN1CCC(C(=O)O)CC1.NC[C@@H]1COc2ccc(OCc3ccccc3)cc2O1.
What is the InChIKey of 1-methyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine?
The InChIKey is NUZKYMOLCCFGLZ-MUNUKQKRSA-N. The full InChI is InChI=1S/C23H28N2O4.C16H17NO3.C7H13NO2/c1-25-11-9-18(10-12-25)23(26)24-14-20-16-28-21-8-7-19(13-22(21)29-20)27-15-17-5-3-2-4-6-17;17-9-14-11-19-15-7-6-13(8-16(15)20-14)18-10-12-4-2-1-3-5-12;1-8-4-2-6(3-5-8)7(9)10/h2-8,13,18,20H,9-12,14-16H2,1H3,(H,24,26);1-8,14H,9-11,17H2;6H,2-5H2,1H3,(H,9,10)/t20-;14-;/m11./s1.
What are the key properties of 1-methyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine?
1-methyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine has a molecular weight of 810.99 g/mol, XLogP of 5.64, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine is sourced from PubChem (CID 159892973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).