1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide

C18H35N3O4S — CID 5235709

IUPAC1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCC(C(=O)NCCCOC(C)C)C2)CC1
InChIInChI=1S/C18H35N3O4S/c1-15(2)25-13-5-9-19-18(22)17-6-4-10-21(14-17)26(23,24)20-11-7-16(3)8-12-20/h15-17H,4-14H2,1-3H3,(H,19,22)
InChIKeyBLDQPTQETKYSMX-UHFFFAOYSA-N
MW389.56 g/mol
LogP1.61
Rot. Bonds8

About 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide

1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide (PubChem CID 5235709) has the molecular formula C18H35N3O4S and a molecular weight of 389.56 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
PubChem CID5235709
Molecular FormulaC18H35N3O4S
Molecular Weight389.56 g/mol
Exact Mass389.23
IUPAC Name1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCC(C(=O)NCCCOC(C)C)C2)CC1
InChIInChI=1S/C18H35N3O4S/c1-15(2)25-13-5-9-19-18(22)17-6-4-10-21(14-17)26(23,24)20-11-7-16(3)8-12-20/h15-17H,4-14H2,1-3H3,(H,19,22)
InChIKeyBLDQPTQETKYSMX-UHFFFAOYSA-N
XLogP1.61
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.56
LogP ≤ 51.61
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-(4-methylpiperidin-1-yl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide (CID 5235709) is 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide is CC1CCN(S(=O)(=O)N2CCCC(C(=O)NCCCOC(C)C)C2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The InChIKey is BLDQPTQETKYSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O4S/c1-15(2)25-13-5-9-19-18(22)17-6-4-10-21(14-17)26(23,24)20-11-7-16(3)8-12-20/h15-17H,4-14H2,1-3H3,(H,19,22).
What are the key properties of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
1-(4-methylpiperidin-1-yl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide has a molecular weight of 389.56 g/mol, XLogP of 1.61, 8 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-(3-propan-2-yloxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 5235709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).