N-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)piperidine-1-carboxamide

C15H20N2O4 — CID 51083402

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)N1CCC(CO)CC1
InChIInChI=1S/C15H20N2O4/c18-9-11-3-5-17(6-4-11)15(19)16-8-12-1-2-13-14(7-12)21-10-20-13/h1-2,7,11,18H,3-6,8-10H2,(H,16,19)
InChIKeyPXHZTBRBWOASDV-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.33
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)piperidine-1-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 51083402) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID51083402
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)N1CCC(CO)CC1
InChIInChI=1S/C15H20N2O4/c18-9-11-3-5-17(6-4-11)15(19)16-8-12-1-2-13-14(7-12)21-10-20-13/h1-2,7,11,18H,3-6,8-10H2,(H,16,19)
InChIKeyPXHZTBRBWOASDV-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

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84529504
N-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165135
N-(1,3-benzodioxol-5-ylmethyl)-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 38268339
N-(1,3-benzodioxol-5-ylmethyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 38221399
N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105659
N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
CID 47849124
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87000385
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110896394
(3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide
CID 95135179
4-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide
CID 38202881
N-(1,3-benzodioxol-5-ylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 38265207
1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]piperidine-4-carboxamide
CID 44902165

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)piperidine-1-carboxamide (CID 51083402) is N-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)piperidine-1-carboxamide is O=C(NCc1ccc2c(c1)OCO2)N1CCC(CO)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is PXHZTBRBWOASDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-9-11-3-5-17(6-4-11)15(19)16-8-12-1-2-13-14(7-12)21-10-20-13/h1-2,7,11,18H,3-6,8-10H2,(H,16,19).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-4-(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)-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 51083402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).