1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide

C18H35N3O4S — CID 7080925

IUPAC1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)CC1
InChIInChI=1S/C18H35N3O4S/c1-4-25-11-5-8-19-18(22)17-6-9-20(10-7-17)26(23,24)21-13-15(2)12-16(3)14-21/h15-17H,4-14H2,1-3H3,(H,19,22)/t15-,16+
InChIKeyYZZRDYOGZSMUSS-IYBDPMFKSA-N
MW389.56 g/mol
LogP1.46
Rot. Bonds8

About 1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide

1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide (PubChem CID 7080925) has the molecular formula C18H35N3O4S and a molecular weight of 389.56 g/mol. Its IUPAC name is 1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide
PubChem CID7080925
Molecular FormulaC18H35N3O4S
Molecular Weight389.56 g/mol
Exact Mass389.23
IUPAC Name1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)CC1
InChIInChI=1S/C18H35N3O4S/c1-4-25-11-5-8-19-18(22)17-6-9-20(10-7-17)26(23,24)21-13-15(2)12-16(3)14-21/h15-17H,4-14H2,1-3H3,(H,19,22)/t15-,16+
InChIKeyYZZRDYOGZSMUSS-IYBDPMFKSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-ethoxypropyl)piperidine-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 1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide (CID 7080925) is 1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)CC1.
What is the InChIKey of 1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The InChIKey is YZZRDYOGZSMUSS-IYBDPMFKSA-N. The full InChI is InChI=1S/C18H35N3O4S/c1-4-25-11-5-8-19-18(22)17-6-9-20(10-7-17)26(23,24)21-13-15(2)12-16(3)14-21/h15-17H,4-14H2,1-3H3,(H,19,22)/t15-,16+.
What are the key properties of 1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide?
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide has a molecular weight of 389.56 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 7080925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).