1-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperidine-3-carboxamide

C16H31N3OS — CID 45236177

IUPAC1-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperidine-3-carboxamide
SMILESCSCCCNC(=O)C1CCCN(C2CCN(C)CC2)C1
InChIInChI=1S/C16H31N3OS/c1-18-10-6-15(7-11-18)19-9-3-5-14(13-19)16(20)17-8-4-12-21-2/h14-15H,3-13H2,1-2H3,(H,17,20)
InChIKeySRSOTJBSMRICPJ-UHFFFAOYSA-N
MW313.51 g/mol
LogP1.66
Rot. Bonds6

About 1-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperidine-3-carboxamide

1-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperidine-3-carboxamide (PubChem CID 45236177) has the molecular formula C16H31N3OS and a molecular weight of 313.51 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperidine-3-carboxamide
PubChem CID45236177
Molecular FormulaC16H31N3OS
Molecular Weight313.51 g/mol
Exact Mass313.22
IUPAC Name1-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperidine-3-carboxamide
SMILESCSCCCNC(=O)C1CCCN(C2CCN(C)CC2)C1
InChIInChI=1S/C16H31N3OS/c1-18-10-6-15(7-11-18)19-9-3-5-14(13-19)16(20)17-8-4-12-21-2/h14-15H,3-13H2,1-2H3,(H,17,20)
InChIKeySRSOTJBSMRICPJ-UHFFFAOYSA-N
XLogP1.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 51.66
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-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperidine-3-carboxamide (CID 45236177) is 1-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperidine-3-carboxamide is CSCCCNC(=O)C1CCCN(C2CCN(C)CC2)C1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperidine-3-carboxamide?
The InChIKey is SRSOTJBSMRICPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3OS/c1-18-10-6-15(7-11-18)19-9-3-5-14(13-19)16(20)17-8-4-12-21-2/h14-15H,3-13H2,1-2H3,(H,17,20).
What are the key properties of 1-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperidine-3-carboxamide?
1-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperidine-3-carboxamide has a molecular weight of 313.51 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 45236177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).