1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C17H23N5O3S — CID 53085487

IUPAC1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)ccn3)CC2)c1
InChIInChI=1S/C17H23N5O3S/c1-3-21-11-16(19-12-21)26(24,25)22-8-5-14(6-9-22)17(23)20-15-10-13(2)4-7-18-15/h4,7,10-12,14H,3,5-6,8-9H2,1-2H3,(H,18,20,23)
InChIKeyRYBRQHXSQOUKQN-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.65
Rot. Bonds5

About 1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 53085487) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID53085487
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)ccn3)CC2)c1
InChIInChI=1S/C17H23N5O3S/c1-3-21-11-16(19-12-21)26(24,25)22-8-5-14(6-9-22)17(23)20-15-10-13(2)4-7-18-15/h4,7,10-12,14H,3,5-6,8-9H2,1-2H3,(H,18,20,23)
InChIKeyRYBRQHXSQOUKQN-UHFFFAOYSA-N
XLogP1.65
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 95073348
1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 53085516
N-[(2S)-butan-2-yl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 93068990
1-(1-ethylimidazol-4-yl)sulfonyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-4-carboxamide
CID 53029147
(3R)-N-(2-chloro-4-methylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073350
1-(4-tert-butylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 35028092
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone
CID 53085480
N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2315676
1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
CID 53085488
N-[(4-bromophenyl)methyl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085528
1-(4-bromo-2-chlorophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55816205
ethyl 1,2,5-trimethyl-4-[4-[(4-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylpyrrole-3-carboxylate
CID 53009421

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 53085487) is 1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is CCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)ccn3)CC2)c1.
What is the InChIKey of 1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is RYBRQHXSQOUKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-3-21-11-16(19-12-21)26(24,25)22-8-5-14(6-9-22)17(23)20-15-10-13(2)4-7-18-15/h4,7,10-12,14H,3,5-6,8-9H2,1-2H3,(H,18,20,23).
What are the key properties of 1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 53085487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).