N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide

C14H18N2O4 — CID 47136087

IUPACN-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C14H18N2O4/c1-18-11-4-6-16(7-5-11)14(17)15-10-2-3-12-13(8-10)20-9-19-12/h2-3,8,11H,4-7,9H2,1H3,(H,15,17)
InChIKeyZYWIJNPSIFKJFP-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.06
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide

N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide (PubChem CID 47136087) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
PubChem CID47136087
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C14H18N2O4/c1-18-11-4-6-16(7-5-11)14(17)15-10-2-3-12-13(8-10)20-9-19-12/h2-3,8,11H,4-7,9H2,1H3,(H,15,17)
InChIKeyZYWIJNPSIFKJFP-UHFFFAOYSA-N
XLogP2.06
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61199921
N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide
CID 171854822
N-(1,3-benzodioxol-5-yl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 970148
N-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 113113450
N-(1,3-benzodioxol-5-yl)-3-(2,3-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 72837983
(2R)-2-(acetamidomethyl)-N-(1,3-benzodioxol-5-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97438206
1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 43318323
N-(1,3-benzodioxol-5-yl)-4-(imidazol-1-ylmethyl)piperidine-1-carboxamide
CID 90493851
N-(1,3-benzodioxol-5-yl)-4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 121115047
N-(1,3-benzodioxol-5-yl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113109663
N-(1,3-benzodioxol-5-yl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109293
(3R,4R)-N-(1,3-benzodioxol-5-yl)-3-fluoro-4-hydroxypyrrolidine-1-carboxamide
CID 131923741

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide (CID 47136087) is N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide is COC1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide?
The InChIKey is ZYWIJNPSIFKJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-18-11-4-6-16(7-5-11)14(17)15-10-2-3-12-13(8-10)20-9-19-12/h2-3,8,11H,4-7,9H2,1H3,(H,15,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 47136087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).