1-piperidin-1-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

C17H33N3O4S — CID 3245385

IUPAC1-piperidin-1-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H33N3O4S/c1-15(2)24-14-6-9-18-17(21)16-7-12-20(13-8-16)25(22,23)19-10-4-3-5-11-19/h15-16H,3-14H2,1-2H3,(H,18,21)
InChIKeyOYFSACMZFKBGLI-UHFFFAOYSA-N
MW375.54 g/mol
LogP1.36
Rot. Bonds8

About 1-piperidin-1-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

1-piperidin-1-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (PubChem CID 3245385) has the molecular formula C17H33N3O4S and a molecular weight of 375.54 g/mol. Its IUPAC name is 1-piperidin-1-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-1-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
PubChem CID3245385
Molecular FormulaC17H33N3O4S
Molecular Weight375.54 g/mol
Exact Mass375.22
IUPAC Name1-piperidin-1-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H33N3O4S/c1-15(2)24-14-6-9-18-17(21)16-7-12-20(13-8-16)25(22,23)19-10-4-3-5-11-19/h15-16H,3-14H2,1-2H3,(H,18,21)
InChIKeyOYFSACMZFKBGLI-UHFFFAOYSA-N
XLogP1.36
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 51.36
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-piperidin-1-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-piperidin-1-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (CID 3245385) is 1-piperidin-1-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-piperidin-1-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-piperidin-1-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of 1-piperidin-1-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The InChIKey is OYFSACMZFKBGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O4S/c1-15(2)24-14-6-9-18-17(21)16-7-12-20(13-8-16)25(22,23)19-10-4-3-5-11-19/h15-16H,3-14H2,1-2H3,(H,18,21).
What are the key properties of 1-piperidin-1-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
1-piperidin-1-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide has a molecular weight of 375.54 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 3245385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).