N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide

C15H20N2O4 — CID 84529504

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)N1CCCC(CO)C1
InChIInChI=1S/C15H20N2O4/c18-9-12-2-1-5-17(8-12)15(19)16-7-11-3-4-13-14(6-11)21-10-20-13/h3-4,6,12,18H,1-2,5,7-10H2,(H,16,19)
InChIKeyQMVXNOMCZXCSSB-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.33
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 84529504) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID84529504
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)N1CCCC(CO)C1
InChIInChI=1S/C15H20N2O4/c18-9-12-2-1-5-17(8-12)15(19)16-7-11-3-4-13-14(6-11)21-10-20-13/h3-4,6,12,18H,1-2,5,7-10H2,(H,16,19)
InChIKeyQMVXNOMCZXCSSB-UHFFFAOYSA-N
XLogP1.33
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87000385
N-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 51083402
(3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide
CID 95135179
N-[(4-tert-butylphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110910288
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 99993635
N-(1,3-benzodioxol-5-ylmethyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 86265980
N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75437353
(3S)-3-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 95093916
(3R)-1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 51961786
N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypiperidine-1-carboxamide
CID 91627929
N-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165135
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443750

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide (CID 84529504) is N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide is O=C(NCc1ccc2c(c1)OCO2)N1CCCC(CO)C1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is QMVXNOMCZXCSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-9-12-2-1-5-17(8-12)15(19)16-7-11-3-4-13-14(6-11)21-10-20-13/h3-4,6,12,18H,1-2,5,7-10H2,(H,16,19).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 292.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 84529504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).