1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid

C14H16N2O5 — CID 43318323

IUPAC1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C14H16N2O5/c17-13(18)9-2-1-5-16(7-9)14(19)15-10-3-4-11-12(6-10)21-8-20-11/h3-4,6,9H,1-2,5,7-8H2,(H,15,19)(H,17,18)
InChIKeyCLHLEYLRZJMRON-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.74
Rot. Bonds2

About 1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid

1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 43318323) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID43318323
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C14H16N2O5/c17-13(18)9-2-1-5-16(7-9)14(19)15-10-3-4-11-12(6-10)21-8-20-11/h3-4,6,9H,1-2,5,7-8H2,(H,15,19)(H,17,18)
InChIKeyCLHLEYLRZJMRON-UHFFFAOYSA-N
XLogP1.74
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(1,3-benzodioxol-5-yl)-3-(4-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 42214526
(3R)-N-(1,3-benzodioxol-5-yl)-3-(2-methoxybenzoyl)piperidine-1-carboxamide
CID 42567311
(3R)-N-(4-acetylphenyl)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carboxamide
CID 42147863
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide
CID 115578699
(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120122
N-(1,3-benzodioxol-5-yl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334562
1-(1,3-benzodioxol-5-yl)piperidine-3-carboxylic acid
CID 82537821
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
(3S)-3-N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 35067743
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
CID 47136087
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid (CID 43318323) is 1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is CLHLEYLRZJMRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c17-13(18)9-2-1-5-16(7-9)14(19)15-10-3-4-11-12(6-10)21-8-20-11/h3-4,6,9H,1-2,5,7-8H2,(H,15,19)(H,17,18).
What are the key properties of 1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid?
1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43318323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).