N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide

C18H22N4O3S — CID 71800885

IUPACN-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
SMILESCn1ccnc1SCC1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C18H22N4O3S/c1-21-9-6-19-18(21)26-11-13-4-7-22(8-5-13)17(23)20-14-2-3-15-16(10-14)25-12-24-15/h2-3,6,9-10,13H,4-5,7-8,11-12H2,1H3,(H,20,23)
InChIKeyAMEVHDOKOHJAJG-UHFFFAOYSA-N
MW374.47 g/mol
LogP3.18
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide

N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide (PubChem CID 71800885) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
PubChem CID71800885
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
SMILESCn1ccnc1SCC1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C18H22N4O3S/c1-21-9-6-19-18(21)26-11-13-4-7-22(8-5-13)17(23)20-14-2-3-15-16(10-14)25-12-24-15/h2-3,6,9-10,13H,4-5,7-8,11-12H2,1H3,(H,20,23)
InChIKeyAMEVHDOKOHJAJG-UHFFFAOYSA-N
XLogP3.18
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]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-(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-(imidazol-1-ylmethyl)piperidine-1-carboxamide
CID 90493851
N-(1,3-benzodioxol-5-yl)-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide
CID 71801121
N-(1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide
CID 23742388
4-[[4-(aminomethyl)triazol-1-yl]methyl]-N-(1,3-benzodioxol-5-yl)piperidine-1-carboxamide
CID 31004466
N-(1,3-benzodioxol-5-yl)-4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidine-1-carboxamide
CID 46991994
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
CID 47136087
N-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 70765081
(3R)-N-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 97143036
1-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 71800851
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 43040945
(3aR,7aS)-N-(1,3-benzodioxol-5-yl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide
CID 97260691

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide (CID 71800885) is N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide is Cn1ccnc1SCC1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide?
The InChIKey is AMEVHDOKOHJAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-21-9-6-19-18(21)26-11-13-4-7-22(8-5-13)17(23)20-14-2-3-15-16(10-14)25-12-24-15/h2-3,6,9-10,13H,4-5,7-8,11-12H2,1H3,(H,20,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide is sourced from PubChem (CID 71800885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).