N-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperidine-2-carboxamide

C16H22N2O3 — CID 114428687

IUPACN-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NCc2cccc3c2OCO3)C1
InChIInChI=1S/C16H22N2O3/c1-2-11-6-7-17-13(8-11)16(19)18-9-12-4-3-5-14-15(12)21-10-20-14/h3-5,11,13,17H,2,6-10H2,1H3,(H,18,19)
InChIKeyRZDJBLFLNJKZER-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.81
Rot. Bonds4

About N-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperidine-2-carboxamide

N-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperidine-2-carboxamide (PubChem CID 114428687) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperidine-2-carboxamide
PubChem CID114428687
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NCc2cccc3c2OCO3)C1
InChIInChI=1S/C16H22N2O3/c1-2-11-6-7-17-13(8-11)16(19)18-9-12-4-3-5-14-15(12)21-10-20-14/h3-5,11,13,17H,2,6-10H2,1H3,(H,18,19)
InChIKeyRZDJBLFLNJKZER-UHFFFAOYSA-N
XLogP1.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119298906
N-(1,3-benzodioxol-4-ylmethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779033
4-ethyl-N-[(4-hydroxyphenyl)methyl]piperidine-2-carboxamide
CID 114429606
4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide
CID 114429306
N-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-4-ylpropanamide
CID 62211455
N-(1,3-benzodioxol-4-ylmethyl)-2,2-dimethylpropanamide
CID 61149994
4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 114428577
(2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926614
N-(1,3-benzodioxol-4-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
CID 63451647
N-(1,3-benzodioxol-4-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892288
(2S,4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 120639573
9-amino-N-(1,3-benzodioxol-4-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120987062

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperidine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperidine-2-carboxamide (CID 114428687) is N-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperidine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperidine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperidine-2-carboxamide is CCC1CCNC(C(=O)NCc2cccc3c2OCO3)C1.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperidine-2-carboxamide?
The InChIKey is RZDJBLFLNJKZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-11-6-7-17-13(8-11)16(19)18-9-12-4-3-5-14-15(12)21-10-20-14/h3-5,11,13,17H,2,6-10H2,1H3,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperidine-2-carboxamide?
N-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperidine-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperidine-2-carboxamide is sourced from PubChem (CID 114428687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).