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

C24H30N2O3 — CID 133230460

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1cccc(CN2CCC(C(=O)NC(C)c3ccc4c(c3)OCCO4)CC2)c1
InChIInChI=1S/C24H30N2O3/c1-17-4-3-5-19(14-17)16-26-10-8-20(9-11-26)24(27)25-18(2)21-6-7-22-23(15-21)29-13-12-28-22/h3-7,14-15,18,20H,8-13,16H2,1-2H3,(H,25,27)
InChIKeyVZERXMDJZGQQOJ-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.86
Rot. Bonds5

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

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 133230460) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID133230460
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1cccc(CN2CCC(C(=O)NC(C)c3ccc4c(c3)OCCO4)CC2)c1
InChIInChI=1S/C24H30N2O3/c1-17-4-3-5-19(14-17)16-26-10-8-20(9-11-26)24(27)25-18(2)21-6-7-22-23(15-21)29-13-12-28-22/h3-7,14-15,18,20H,8-13,16H2,1-2H3,(H,25,27)
InChIKeyVZERXMDJZGQQOJ-UHFFFAOYSA-N
XLogP3.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-4-carboxamide
CID 133230458
N-[1-(2,4-dimethylphenyl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 46776363
1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024759
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 95350173
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 131896032
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 46979822
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013963
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266134
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 1343521
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 100751573
1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 46776268
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 133230402

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide (CID 133230460) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide is Cc1cccc(CN2CCC(C(=O)NC(C)c3ccc4c(c3)OCCO4)CC2)c1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is VZERXMDJZGQQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17-4-3-5-19(14-17)16-26-10-8-20(9-11-26)24(27)25-18(2)21-6-7-22-23(15-21)29-13-12-28-22/h3-7,14-15,18,20H,8-13,16H2,1-2H3,(H,25,27).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 133230460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).