1-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C18H28N4O3S — CID 4063309

IUPAC1-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCC(C(=O)NCc3cccnc3)CC2)CC1
InChIInChI=1S/C18H28N4O3S/c1-15-4-9-21(10-5-15)26(24,25)22-11-6-17(7-12-22)18(23)20-14-16-3-2-8-19-13-16/h2-3,8,13,15,17H,4-7,9-12,14H2,1H3,(H,20,23)
InChIKeyLQIOTERKJCZRCN-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.39
Rot. Bonds5

About 1-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 4063309) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID4063309
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC Name1-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCC(C(=O)NCc3cccnc3)CC2)CC1
InChIInChI=1S/C18H28N4O3S/c1-15-4-9-21(10-5-15)26(24,25)22-11-6-17(7-12-22)18(23)20-14-16-3-2-8-19-13-16/h2-3,8,13,15,17H,4-7,9-12,14H2,1H3,(H,20,23)
InChIKeyLQIOTERKJCZRCN-UHFFFAOYSA-N
XLogP1.39
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 4063309) is 1-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is CC1CCN(S(=O)(=O)N2CCC(C(=O)NCc3cccnc3)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is LQIOTERKJCZRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-15-4-9-21(10-5-15)26(24,25)22-11-6-17(7-12-22)18(23)20-14-16-3-2-8-19-13-16/h2-3,8,13,15,17H,4-7,9-12,14H2,1H3,(H,20,23).
What are the key properties of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 4063309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).