N-(1,3-benzodioxol-5-yl)-1-[(1-benzylpyrrol-3-yl)methyl]piperidine-4-carboxamide

C25H27N3O3 — CID 167806403

IUPACN-(1,3-benzodioxol-5-yl)-1-[(1-benzylpyrrol-3-yl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2ccn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C25H27N3O3/c29-25(26-22-6-7-23-24(14-22)31-18-30-23)21-9-12-27(13-10-21)16-20-8-11-28(17-20)15-19-4-2-1-3-5-19/h1-8,11,14,17,21H,9-10,12-13,15-16,18H2,(H,26,29)
InChIKeyKLQJQBWBIDGYDP-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.12
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-1-[(1-benzylpyrrol-3-yl)methyl]piperidine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-1-[(1-benzylpyrrol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 167806403) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-[(1-benzylpyrrol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-[(1-benzylpyrrol-3-yl)methyl]piperidine-4-carboxamide
PubChem CID167806403
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-[(1-benzylpyrrol-3-yl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2ccn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C25H27N3O3/c29-25(26-22-6-7-23-24(14-22)31-18-30-23)21-9-12-27(13-10-21)16-20-8-11-28(17-20)15-19-4-2-1-3-5-19/h1-8,11,14,17,21H,9-10,12-13,15-16,18H2,(H,26,29)
InChIKeyKLQJQBWBIDGYDP-UHFFFAOYSA-N
XLogP4.12
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921459
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CID 43921462
N-(1,3-benzodioxol-5-yl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 3244536
N-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide
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CID 44902015
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CID 8995887
N-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]piperidine-4-carboxamide
CID 40927516
N-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidine-4-carboxamide
CID 17478762
1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide
CID 51118445
N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[(1-benzylpyrrol-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[(1-benzylpyrrol-3-yl)methyl]piperidine-4-carboxamide (CID 167806403) is N-(1,3-benzodioxol-5-yl)-1-[(1-benzylpyrrol-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-[(1-benzylpyrrol-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-[(1-benzylpyrrol-3-yl)methyl]piperidine-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2ccn(Cc3ccccc3)c2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-[(1-benzylpyrrol-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is KLQJQBWBIDGYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c29-25(26-22-6-7-23-24(14-22)31-18-30-23)21-9-12-27(13-10-21)16-20-8-11-28(17-20)15-19-4-2-1-3-5-19/h1-8,11,14,17,21H,9-10,12-13,15-16,18H2,(H,26,29).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-[(1-benzylpyrrol-3-yl)methyl]piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-[(1-benzylpyrrol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-[(1-benzylpyrrol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 167806403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).