(3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide

C15H22N4O4 — CID 95158166

IUPAC(3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide
SMILESCOCCOc1ccc(NC(=O)[C@H]2CCCN(C(N)=O)C2)cn1
InChIInChI=1S/C15H22N4O4/c1-22-7-8-23-13-5-4-12(9-17-13)18-14(20)11-3-2-6-19(10-11)15(16)21/h4-5,9,11H,2-3,6-8,10H2,1H3,(H2,16,21)(H,18,20)/t11-/m0/s1
InChIKeyCFTMSAFDLOSOFW-NSHDSACASA-N
MW322.37 g/mol
LogP0.84
Rot. Bonds6

About (3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide

(3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide (PubChem CID 95158166) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is (3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide
PubChem CID95158166
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name(3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide
SMILESCOCCOc1ccc(NC(=O)[C@H]2CCCN(C(N)=O)C2)cn1
InChIInChI=1S/C15H22N4O4/c1-22-7-8-23-13-5-4-12(9-17-13)18-14(20)11-3-2-6-19(10-11)15(16)21/h4-5,9,11H,2-3,6-8,10H2,1H3,(H2,16,21)(H,18,20)/t11-/m0/s1
InChIKeyCFTMSAFDLOSOFW-NSHDSACASA-N
XLogP0.84
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 55150610
1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide
CID 55787560
4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid
CID 43170125
N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 43069850
N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpyrrolidine-2-carboxamide
CID 102777809
(3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 34970341
1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 122084895
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1-propanoylpiperidine-3-carboxamide
CID 55872419
1-N-(3-methylphenyl)-3-N-(6-phenylmethoxy-3-pyridinyl)piperidine-1,3-dicarboxamide
CID 55878430
N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(4-methoxy-2-pyridinyl)pyrrolidine-1-carboxamide
CID 167988896
N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46433629
(3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 9074203

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide (CID 95158166) is (3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide is COCCOc1ccc(NC(=O)[C@H]2CCCN(C(N)=O)C2)cn1.
What is the InChIKey of (3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide?
The InChIKey is CFTMSAFDLOSOFW-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N4O4/c1-22-7-8-23-13-5-4-12(9-17-13)18-14(20)11-3-2-6-19(10-11)15(16)21/h4-5,9,11H,2-3,6-8,10H2,1H3,(H2,16,21)(H,18,20)/t11-/m0/s1.
What are the key properties of (3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide?
(3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide has a molecular weight of 322.37 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 95158166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).