N-[3-(diethylamino)propyl]-1-methylsulfonylpiperidine-4-carboxamide

C14H29N3O3S — CID 4087817

IUPACN-[3-(diethylamino)propyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H29N3O3S/c1-4-16(5-2)10-6-9-15-14(18)13-7-11-17(12-8-13)21(3,19)20/h13H,4-12H2,1-3H3,(H,15,18)
InChIKeyNGQGIUBWDUBAIY-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.51
Rot. Bonds8

About N-[3-(diethylamino)propyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[3-(diethylamino)propyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 4087817) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID4087817
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC NameN-[3-(diethylamino)propyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H29N3O3S/c1-4-16(5-2)10-6-9-15-14(18)13-7-11-17(12-8-13)21(3,19)20/h13H,4-12H2,1-3H3,(H,15,18)
InChIKeyNGQGIUBWDUBAIY-UHFFFAOYSA-N
XLogP0.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.51
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 N-[3-(diethylamino)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 4087817) is N-[3-(diethylamino)propyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-1-methylsulfonylpiperidine-4-carboxamide is CCN(CC)CCCNC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[3-(diethylamino)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is NGQGIUBWDUBAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-4-16(5-2)10-6-9-15-14(18)13-7-11-17(12-8-13)21(3,19)20/h13H,4-12H2,1-3H3,(H,15,18).
What are the key properties of N-[3-(diethylamino)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[3-(diethylamino)propyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 319.47 g/mol, XLogP of 0.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4087817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).