1-ethylsulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide

C16H31N3O3S — CID 4097373

IUPAC1-ethylsulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCCCC2)CC1
InChIInChI=1S/C16H31N3O3S/c1-2-23(21,22)19-13-7-15(8-14-19)16(20)17-9-6-12-18-10-4-3-5-11-18/h15H,2-14H2,1H3,(H,17,20)
InChIKeyMKZMCKVWXSATEH-UHFFFAOYSA-N
MW345.51 g/mol
LogP1.04
Rot. Bonds7

About 1-ethylsulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide

1-ethylsulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide (PubChem CID 4097373) has the molecular formula C16H31N3O3S and a molecular weight of 345.51 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
PubChem CID4097373
Molecular FormulaC16H31N3O3S
Molecular Weight345.51 g/mol
Exact Mass345.21
IUPAC Name1-ethylsulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCCCC2)CC1
InChIInChI=1S/C16H31N3O3S/c1-2-23(21,22)19-13-7-15(8-14-19)16(20)17-9-6-12-18-10-4-3-5-11-18/h15H,2-14H2,1H3,(H,17,20)
InChIKeyMKZMCKVWXSATEH-UHFFFAOYSA-N
XLogP1.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide (CID 4097373) is 1-ethylsulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCCCN2CCCCC2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The InChIKey is MKZMCKVWXSATEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3S/c1-2-23(21,22)19-13-7-15(8-14-19)16(20)17-9-6-12-18-10-4-3-5-11-18/h15H,2-14H2,1H3,(H,17,20).
What are the key properties of 1-ethylsulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide has a molecular weight of 345.51 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 4097373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).