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

C19H37N3O3S — CID 3686343

IUPACN-[3-(2-ethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCCCC2CC)CC1
InChIInChI=1S/C19H37N3O3S/c1-3-16-26(24,25)22-14-9-17(10-15-22)19(23)20-11-7-13-21-12-6-5-8-18(21)4-2/h17-18H,3-16H2,1-2H3,(H,20,23)
InChIKeyPKZYDAAOTXRGTC-UHFFFAOYSA-N
MW387.59 g/mol
LogP2.21
Rot. Bonds9

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

N-[3-(2-ethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide (PubChem CID 3686343) has the molecular formula C19H37N3O3S and a molecular weight of 387.59 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide
PubChem CID3686343
Molecular FormulaC19H37N3O3S
Molecular Weight387.59 g/mol
Exact Mass387.26
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCCCC2CC)CC1
InChIInChI=1S/C19H37N3O3S/c1-3-16-26(24,25)22-14-9-17(10-15-22)19(23)20-11-7-13-21-12-6-5-8-18(21)4-2/h17-18H,3-16H2,1-2H3,(H,20,23)
InChIKeyPKZYDAAOTXRGTC-UHFFFAOYSA-N
XLogP2.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.59
LogP ≤ 52.21
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-propylsulfonylpiperidine-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-propylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide (CID 3686343) is N-[3-(2-ethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide is CCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCCCC2CC)CC1.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide?
The InChIKey is PKZYDAAOTXRGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O3S/c1-3-16-26(24,25)22-14-9-17(10-15-22)19(23)20-11-7-13-21-12-6-5-8-18(21)4-2/h17-18H,3-16H2,1-2H3,(H,20,23).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide?
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide has a molecular weight of 387.59 g/mol, XLogP of 2.21, 9 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-propylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3686343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).