1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide

C18H22N4O2S — CID 40665734

IUPAC1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
SMILESCc1cccc(-n2ccnc2SCC(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C18H22N4O2S/c1-13-3-2-4-15(11-13)22-10-7-20-18(22)25-12-16(23)21-8-5-14(6-9-21)17(19)24/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H2,19,24)
InChIKeyHIIJSOXQPXMTFH-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.00
Rot. Bonds5

About 1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide

1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide (PubChem CID 40665734) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
PubChem CID40665734
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
SMILESCc1cccc(-n2ccnc2SCC(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C18H22N4O2S/c1-13-3-2-4-15(11-13)22-10-7-20-18(22)25-12-16(23)21-8-5-14(6-9-21)17(19)24/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H2,19,24)
InChIKeyHIIJSOXQPXMTFH-UHFFFAOYSA-N
XLogP2.00
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
CID 39754957
2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 38014286
methyl 1-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate
CID 40657969
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone
CID 25476629
1-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-pentylpiperidine-4-carboxamide
CID 55839021
2-cyclopentyl-1-[4-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]ethanone
CID 55564433
2-ethylsulfanyl-1-(3-methylphenyl)imidazole
CID 52557983
1-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide
CID 8787459
[4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea
CID 33298924
N-(2,3-dimethylphenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 3253704
N-(1,3-benzodioxol-5-yl)-1-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
CID 17474982
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide
CID 9373158

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide (CID 40665734) is 1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide is Cc1cccc(-n2ccnc2SCC(=O)N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide?
The InChIKey is HIIJSOXQPXMTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-13-3-2-4-15(11-13)22-10-7-20-18(22)25-12-16(23)21-8-5-14(6-9-21)17(19)24/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H2,19,24).
What are the key properties of 1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide?
1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 40665734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).