N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide

C22H26N2O3 — CID 43923161

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(CN2CCCC(C(=O)Nc3ccc4c(c3)OCCO4)C2)c1
InChIInChI=1S/C22H26N2O3/c1-16-4-2-5-17(12-16)14-24-9-3-6-18(15-24)22(25)23-19-7-8-20-21(13-19)27-11-10-26-20/h2,4-5,7-8,12-13,18H,3,6,9-11,14-15H2,1H3,(H,23,25)
InChIKeyAODUEIJVMZCADB-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.62
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43923161) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID43923161
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(CN2CCCC(C(=O)Nc3ccc4c(c3)OCCO4)C2)c1
InChIInChI=1S/C22H26N2O3/c1-16-4-2-5-17(12-16)14-24-9-3-6-18(15-24)22(25)23-19-7-8-20-21(13-19)27-11-10-26-20/h2,4-5,7-8,12-13,18H,3,6,9-11,14-15H2,1H3,(H,23,25)
InChIKeyAODUEIJVMZCADB-UHFFFAOYSA-N
XLogP3.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95345095
N-(3,5-dimethylphenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919218
(3S)-1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 93491855
1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 43923163
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930423
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45216567
N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921367
N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918586
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266134
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935028
N-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 45253222

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide (CID 43923161) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide is Cc1cccc(CN2CCCC(C(=O)Nc3ccc4c(c3)OCCO4)C2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is AODUEIJVMZCADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-4-2-5-17(12-16)14-24-9-3-6-18(15-24)22(25)23-19-7-8-20-21(13-19)27-11-10-26-20/h2,4-5,7-8,12-13,18H,3,6,9-11,14-15H2,1H3,(H,23,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43923161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).