(3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide

C21H26N4O2 — CID 126439599

IUPAC(3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide
SMILESCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(CCc3ccccn3)cc2)C1
InChIInChI=1S/C21H26N4O2/c1-22-20(26)17-5-4-14-25(15-17)21(27)24-19-11-8-16(9-12-19)7-10-18-6-2-3-13-23-18/h2-3,6,8-9,11-13,17H,4-5,7,10,14-15H2,1H3,(H,22,26)(H,24,27)/t17-/m0/s1
InChIKeyFGEWMWJGFWBOOO-KRWDZBQOSA-N
MW366.47 g/mol
LogP2.86
Rot. Bonds5

About (3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide

(3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide (PubChem CID 126439599) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide
PubChem CID126439599
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide
SMILESCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(CCc3ccccn3)cc2)C1
InChIInChI=1S/C21H26N4O2/c1-22-20(26)17-5-4-14-25(15-17)21(27)24-19-11-8-16(9-12-19)7-10-18-6-2-3-13-23-18/h2-3,6,8-9,11-13,17H,4-5,7,10,14-15H2,1H3,(H,22,26)(H,24,27)/t17-/m0/s1
InChIKeyFGEWMWJGFWBOOO-KRWDZBQOSA-N
XLogP2.86
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

1-N-phenyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 51250780
1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide
CID 24503682
N-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
CID 156607956
1-N,1-N-dimethyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 47028685
3-N-ethyl-1-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyrrolidine-1,3-dicarboxamide
CID 72938452
(3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide
CID 95899241
(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020
(3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9091528
1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43318489
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
methyl 4-[[3-[methyl(2-pyridin-2-ylethyl)amino]piperidine-1-carbonyl]amino]benzoate
CID 45234205
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide (CID 126439599) is (3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide is CNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(CCc3ccccn3)cc2)C1.
What is the InChIKey of (3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide?
The InChIKey is FGEWMWJGFWBOOO-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-22-20(26)17-5-4-14-25(15-17)21(27)24-19-11-8-16(9-12-19)7-10-18-6-2-3-13-23-18/h2-3,6,8-9,11-13,17H,4-5,7,10,14-15H2,1H3,(H,22,26)(H,24,27)/t17-/m0/s1.
What are the key properties of (3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide?
(3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 126439599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).