N-[3-(2-ethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide

C18H35N3O3S — CID 4066553

IUPACN-[3-(2-ethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C18H35N3O3S/c1-3-17-8-5-6-12-20(17)13-7-11-19-18(22)16-9-14-21(15-10-16)25(23,24)4-2/h16-17H,3-15H2,1-2H3,(H,19,22)
InChIKeyUEQWAIMJMJOTDT-UHFFFAOYSA-N
MW373.56 g/mol
LogP1.82
Rot. Bonds8

About N-[3-(2-ethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide

N-[3-(2-ethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 4066553) has the molecular formula C18H35N3O3S and a molecular weight of 373.56 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID4066553
Molecular FormulaC18H35N3O3S
Molecular Weight373.56 g/mol
Exact Mass373.24
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C18H35N3O3S/c1-3-17-8-5-6-12-20(17)13-7-11-19-18(22)16-9-14-21(15-10-16)25(23,24)4-2/h16-17H,3-15H2,1-2H3,(H,19,22)
InChIKeyUEQWAIMJMJOTDT-UHFFFAOYSA-N
XLogP1.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.56
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(2-ethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide (CID 4066553) is N-[3-(2-ethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide is CCC1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is UEQWAIMJMJOTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O3S/c1-3-17-8-5-6-12-20(17)13-7-11-19-18(22)16-9-14-21(15-10-16)25(23,24)4-2/h16-17H,3-15H2,1-2H3,(H,19,22).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide?
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 373.56 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)propyl]-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4066553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).