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

C23H28N2O3 — CID 133230458

IUPAC1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H28N2O3/c1-17(20-7-8-21-22(15-20)28-14-13-27-21)24-23(26)19-9-11-25(12-10-19)16-18-5-3-2-4-6-18/h2-8,15,17,19H,9-14,16H2,1H3,(H,24,26)
InChIKeyKBOQISMLELHQDA-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.55
Rot. Bonds5

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

1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-4-carboxamide (PubChem CID 133230458) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-4-carboxamide
PubChem CID133230458
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H28N2O3/c1-17(20-7-8-21-22(15-20)28-14-13-27-21)24-23(26)19-9-11-25(12-10-19)16-18-5-3-2-4-6-18/h2-8,15,17,19H,9-14,16H2,1H3,(H,24,26)
InChIKeyKBOQISMLELHQDA-UHFFFAOYSA-N
XLogP3.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 133230460
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 46979822
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 1343521
1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
1-benzyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-4-carboxamide
CID 94013631
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 95350173
1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 47072278
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-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 133230402
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 39495813
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 25480504

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-4-carboxamide (CID 133230458) is 1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-4-carboxamide is CC(NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is KBOQISMLELHQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17(20-7-8-21-22(15-20)28-14-13-27-21)24-23(26)19-9-11-25(12-10-19)16-18-5-3-2-4-6-18/h2-8,15,17,19H,9-14,16H2,1H3,(H,24,26).
What are the key properties of 1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-4-carboxamide?
1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 133230458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).