1-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]piperidine-4-carboxamide

C15H21N3O3 — CID 16783727

IUPAC1-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(N)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C15H21N3O3/c16-12(8-18-5-3-10(4-6-18)15(17)19)11-1-2-13-14(7-11)21-9-20-13/h1-2,7,10,12H,3-6,8-9,16H2,(H2,17,19)
InChIKeyXLRRTVVWKGZPIX-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.61
Rot. Bonds4

About 1-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]piperidine-4-carboxamide

1-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]piperidine-4-carboxamide (PubChem CID 16783727) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]piperidine-4-carboxamide
PubChem CID16783727
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(N)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C15H21N3O3/c16-12(8-18-5-3-10(4-6-18)15(17)19)11-1-2-13-14(7-11)21-9-20-13/h1-2,7,10,12H,3-6,8-9,16H2,(H2,17,19)
InChIKeyXLRRTVVWKGZPIX-UHFFFAOYSA-N
XLogP0.61
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine
CID 61441471
1-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidine-4-carboxamide
CID 6926883
1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 16786895
1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol
CID 54944825
1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163944
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine
CID 16788978
(1S)-1-(1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 55278725
(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethanamine;hydrochloride
CID 171216786
5-amino-5-(1,3-benzodioxol-5-yl)pentanoic acid
CID 82367144
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 115559534
1-(1,3-benzodioxol-5-yl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 60979825
1-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 9443427

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]piperidine-4-carboxamide (CID 16783727) is 1-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(N)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is XLRRTVVWKGZPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-12(8-18-5-3-10(4-6-18)15(17)19)11-1-2-13-14(7-11)21-9-20-13/h1-2,7,10,12H,3-6,8-9,16H2,(H2,17,19).
What are the key properties of 1-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]piperidine-4-carboxamide?
1-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 16783727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).