N-(1,3-benzodioxol-5-yl)-4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidine-1-carboxamide

C18H24N6O3 — CID 46991994

IUPACN-(1,3-benzodioxol-5-yl)-4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidine-1-carboxamide
SMILESCNCc1cn(CC2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)nn1
InChIInChI=1S/C18H24N6O3/c1-19-9-15-11-24(22-21-15)10-13-4-6-23(7-5-13)18(25)20-14-2-3-16-17(8-14)27-12-26-16/h2-3,8,11,13,19H,4-7,9-10,12H2,1H3,(H,20,25)
InChIKeyLDAHWHXPIMLYPA-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.67
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidine-1-carboxamide

N-(1,3-benzodioxol-5-yl)-4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidine-1-carboxamide (PubChem CID 46991994) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidine-1-carboxamide
PubChem CID46991994
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidine-1-carboxamide
SMILESCNCc1cn(CC2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)nn1
InChIInChI=1S/C18H24N6O3/c1-19-9-15-11-24(22-21-15)10-13-4-6-23(7-5-13)18(25)20-14-2-3-16-17(8-14)27-12-26-16/h2-3,8,11,13,19H,4-7,9-10,12H2,1H3,(H,20,25)
InChIKeyLDAHWHXPIMLYPA-UHFFFAOYSA-N
XLogP1.67
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[4-(aminomethyl)triazol-1-yl]methyl]-N-(1,3-benzodioxol-5-yl)piperidine-1-carboxamide
CID 31004466
N-(1,3-benzodioxol-5-yl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66214852
N-(1,3-benzodioxol-5-yl)-4-(imidazol-1-ylmethyl)piperidine-1-carboxamide
CID 90493851
N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
CID 71800885
N-(1,3-benzodioxol-5-yl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494305
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
CID 47136087
[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(oxan-2-yl)methanone
CID 45221294
[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 45180063
N-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62401336
N-(1,3-benzodioxol-5-yl)-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide
CID 71801121
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide
CID 6625961
N-(1,3-benzodioxol-5-yl)-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 53149314

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidine-1-carboxamide (CID 46991994) is N-(1,3-benzodioxol-5-yl)-4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidine-1-carboxamide is CNCc1cn(CC2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)nn1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidine-1-carboxamide?
The InChIKey is LDAHWHXPIMLYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-19-9-15-11-24(22-21-15)10-13-4-6-23(7-5-13)18(25)20-14-2-3-16-17(8-14)27-12-26-16/h2-3,8,11,13,19H,4-7,9-10,12H2,1H3,(H,20,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidine-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidine-1-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 46991994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).