N-[1-[3-(1-benzyltriazol-4-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide

C18H23N5O3S — CID 154759251

IUPACN-[1-[3-(1-benzyltriazol-4-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)C=Cc2cn(Cc3ccccc3)nn2)CC1
InChIInChI=1S/C18H23N5O3S/c1-27(25,26)20-16-9-11-22(12-10-16)18(24)8-7-17-14-23(21-19-17)13-15-5-3-2-4-6-15/h2-8,14,16,20H,9-13H2,1H3
InChIKeyMRNOPULNFRGORQ-UHFFFAOYSA-N
MW389.48 g/mol
LogP0.88
Rot. Bonds6

About N-[1-[3-(1-benzyltriazol-4-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide

N-[1-[3-(1-benzyltriazol-4-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide (PubChem CID 154759251) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[1-[3-(1-benzyltriazol-4-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(1-benzyltriazol-4-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide
PubChem CID154759251
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC NameN-[1-[3-(1-benzyltriazol-4-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)C=Cc2cn(Cc3ccccc3)nn2)CC1
InChIInChI=1S/C18H23N5O3S/c1-27(25,26)20-16-9-11-22(12-10-16)18(24)8-7-17-14-23(21-19-17)13-15-5-3-2-4-6-15/h2-8,14,16,20H,9-13H2,1H3
InChIKeyMRNOPULNFRGORQ-UHFFFAOYSA-N
XLogP0.88
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[1-[3-(1-benzyltriazol-4-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide 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

(E)-3-(1-benzyltriazol-4-yl)-1-[4-(2-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
CID 26922723
3-(1-benzyltriazol-4-yl)-1-phenylprop-2-en-1-one
CID 171149279
(E)-3-(1-benzyltriazol-4-yl)-1-phenylprop-2-en-1-one
CID 154884212
(E)-3-(1-benzyltriazol-4-yl)-1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]prop-2-en-1-one
CID 8950000
(E)-3-(1-benzyltriazol-4-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 9072642
(E)-3-(1-benzyltriazol-4-yl)-N-(4-methylphenyl)prop-2-enamide
CID 9071736
(E)-3-(1-benzyltriazol-4-yl)-N-(2,6-diethylphenyl)prop-2-enamide
CID 26692197
(E)-3-(1-benzyltriazol-4-yl)-N-pentan-2-ylprop-2-enamide
CID 17417147
N-[1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide
CID 33336572
(E)-3-(1-benzyltriazol-4-yl)-N-pyridin-4-ylprop-2-enamide
CID 37217320
(E)-3-(1-benzyltriazol-4-yl)-N-[(2-methylphenyl)methyl]prop-2-enamide
CID 9092947
(E)-3-(1-benzyltriazol-4-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide
CID 24503428

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-benzyltriazol-4-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-(1-benzyltriazol-4-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide (CID 154759251) is N-[1-[3-(1-benzyltriazol-4-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(1-benzyltriazol-4-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(1-benzyltriazol-4-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)C=Cc2cn(Cc3ccccc3)nn2)CC1.
What is the InChIKey of N-[1-[3-(1-benzyltriazol-4-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is MRNOPULNFRGORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-27(25,26)20-16-9-11-22(12-10-16)18(24)8-7-17-14-23(21-19-17)13-15-5-3-2-4-6-15/h2-8,14,16,20H,9-13H2,1H3.
What are the key properties of N-[1-[3-(1-benzyltriazol-4-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide?
N-[1-[3-(1-benzyltriazol-4-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1-benzyltriazol-4-yl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 154759251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).