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

C20H24N6O4S — CID 55974511

IUPACN-(1,3-benzodioxol-5-yl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]piperidine-4-carboxamide
SMILESCC(Sc1nnnn1C1CC1)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C20H24N6O4S/c1-12(31-20-22-23-24-26(20)15-3-4-15)19(28)25-8-6-13(7-9-25)18(27)21-14-2-5-16-17(10-14)30-11-29-16/h2,5,10,12-13,15H,3-4,6-9,11H2,1H3,(H,21,27)
InChIKeyGMACAMWIWQQNSJ-UHFFFAOYSA-N
MW444.52 g/mol
LogP2.09
Rot. Bonds6

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

N-(1,3-benzodioxol-5-yl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]piperidine-4-carboxamide (PubChem CID 55974511) has the molecular formula C20H24N6O4S and a molecular weight of 444.52 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]piperidine-4-carboxamide
PubChem CID55974511
Molecular FormulaC20H24N6O4S
Molecular Weight444.52 g/mol
Exact Mass444.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]piperidine-4-carboxamide
SMILESCC(Sc1nnnn1C1CC1)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C20H24N6O4S/c1-12(31-20-22-23-24-26(20)15-3-4-15)19(28)25-8-6-13(7-9-25)18(27)21-14-2-5-16-17(10-14)30-11-29-16/h2,5,10,12-13,15H,3-4,6-9,11H2,1H3,(H,21,27)
InChIKeyGMACAMWIWQQNSJ-UHFFFAOYSA-N
XLogP2.09
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(1,3-benzodioxol-5-yl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]piperidine-4-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)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 9204376
N-(1,3-benzodioxol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224462
4-N-(1,3-benzodioxol-5-yl)-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 166188583
1-[(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-methylpentanoyl]-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide
CID 129420019
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 27047581
1-[(2R)-2-(4-acetylphenoxy)propanoyl]-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide
CID 41410637
3-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 146134401
N-(1,3-benzodioxol-5-yl)-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 46403946
(2S)-N-(1,3-benzodioxol-5-yl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8723222
N-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide
CID 41411139
N-(1,3-benzodioxol-5-yl)-1-[1-(3,5-difluorophenyl)ethyl]piperidine-4-carboxamide
CID 167799507
N-(1,3-benzodioxol-5-yl)-1-(5-methylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 41410894

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]piperidine-4-carboxamide (CID 55974511) is N-(1,3-benzodioxol-5-yl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]piperidine-4-carboxamide is CC(Sc1nnnn1C1CC1)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]piperidine-4-carboxamide?
The InChIKey is GMACAMWIWQQNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4S/c1-12(31-20-22-23-24-26(20)15-3-4-15)19(28)25-8-6-13(7-9-25)18(27)21-14-2-5-16-17(10-14)30-11-29-16/h2,5,10,12-13,15H,3-4,6-9,11H2,1H3,(H,21,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]piperidine-4-carboxamide has a molecular weight of 444.52 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55974511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).