N-(1,3-benzodioxol-5-yl)-4-pyridin-2-yloxypiperidine-1-carboxamide

C18H19N3O4 — CID 71798654

IUPACN-(1,3-benzodioxol-5-yl)-4-pyridin-2-yloxypiperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C18H19N3O4/c22-18(20-13-4-5-15-16(11-13)24-12-23-15)21-9-6-14(7-10-21)25-17-3-1-2-8-19-17/h1-5,8,11,14H,6-7,9-10,12H2,(H,20,22)
InChIKeyATZFTYDSNSUEHT-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.89
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-pyridin-2-yloxypiperidine-1-carboxamide

N-(1,3-benzodioxol-5-yl)-4-pyridin-2-yloxypiperidine-1-carboxamide (PubChem CID 71798654) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-pyridin-2-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-pyridin-2-yloxypiperidine-1-carboxamide
PubChem CID71798654
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-pyridin-2-yloxypiperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C18H19N3O4/c22-18(20-13-4-5-15-16(11-13)24-12-23-15)21-9-6-14(7-10-21)25-17-3-1-2-8-19-17/h1-5,8,11,14H,6-7,9-10,12H2,(H,20,22)
InChIKeyATZFTYDSNSUEHT-UHFFFAOYSA-N
XLogP2.89
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-Benzodioxol-5-yl)-3-(3-pyridinylmethyl)urea
CID 971608
N-1,3-benzodioxol-5-yl-N'-(2-pyridinylmethyl)urea
CID 971167
N-Benzo[1,3]dioxol-5-yl-N-cyclohexylcarbamoylmethyl-N'-pyridin-2-yl-succinamide
CID 651098
1-(1,3-Benzodioxol-5-yl)-3-pyridin-3-ylurea
CID 970916
N-1,3-benzodioxol-5-yl-4-(2-pyrimidinyl)-1-piperazinecarboxamide
CID 971830
N-1,3-benzodioxol-5-yl-N'-(5-methyl-2-pyridinyl)urea
CID 6464804
1-(1,3-Benzodioxol-5-yl)-3-pyridin-2-ylurea
CID 6465583
1-(1,3-Benzodioxol-5-yl)-3-(4-methylpyridin-2-yl)urea
CID 6466443
1-(3-Methoxyphenyl)-3-(4-(pyridin-4-yloxy)phenyl)urea
CID 44565732
1-(2,2-Difluoro-1,3-benzodioxol-5-yl)-3-[2-(trifluoromethyl)-4-pyridinyl]urea
CID 145970509
1-(1,3-Benzodioxol-5-yl)-3-(pyridin-3-ylmethyl)thiourea
CID 971674
2H-Imidazo[4,5-b]pyridin-2-one, 3-(1,3-benzodioxol-5-yl)-1,3-dihydro-
CID 11961739

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-pyridin-2-yloxypiperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-pyridin-2-yloxypiperidine-1-carboxamide (CID 71798654) is N-(1,3-benzodioxol-5-yl)-4-pyridin-2-yloxypiperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-pyridin-2-yloxypiperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-pyridin-2-yloxypiperidine-1-carboxamide is O=C(Nc1ccc2c(c1)OCO2)N1CCC(Oc2ccccn2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-pyridin-2-yloxypiperidine-1-carboxamide?
The InChIKey is ATZFTYDSNSUEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-18(20-13-4-5-15-16(11-13)24-12-23-15)21-9-6-14(7-10-21)25-17-3-1-2-8-19-17/h1-5,8,11,14H,6-7,9-10,12H2,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-pyridin-2-yloxypiperidine-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-pyridin-2-yloxypiperidine-1-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-pyridin-2-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 71798654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).