1-(3,5-dimethylbenzoyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide

C26H34N4O3 — CID 55791220

IUPAC1-(3,5-dimethylbenzoyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NCc3ccc(N4CCOC(C)C4)nc3)C2)c1
InChIInChI=1S/C26H34N4O3/c1-18-11-19(2)13-23(12-18)26(32)30-8-4-5-22(17-30)25(31)28-15-21-6-7-24(27-14-21)29-9-10-33-20(3)16-29/h6-7,11-14,20,22H,4-5,8-10,15-17H2,1-3H3,(H,28,31)
InChIKeyVUHGTJIMPDUIHN-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.09
Rot. Bonds5

About 1-(3,5-dimethylbenzoyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide

1-(3,5-dimethylbenzoyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide (PubChem CID 55791220) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzoyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylbenzoyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide
PubChem CID55791220
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name1-(3,5-dimethylbenzoyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NCc3ccc(N4CCOC(C)C4)nc3)C2)c1
InChIInChI=1S/C26H34N4O3/c1-18-11-19(2)13-23(12-18)26(32)30-8-4-5-22(17-30)25(31)28-15-21-6-7-24(27-14-21)29-9-10-33-20(3)16-29/h6-7,11-14,20,22H,4-5,8-10,15-17H2,1-3H3,(H,28,31)
InChIKeyVUHGTJIMPDUIHN-UHFFFAOYSA-N
XLogP3.09
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,5-dimethylbenzoyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

3-amino-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide
CID 119846574
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119846618
(2S,4S)-2-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120633132
ethyl 1-[N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110992948
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46488775
(3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082808
1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 138996186
1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide
CID 55820207
N-[(3,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55792149
(3S)-1-(3,5-dimethylbenzoyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082877
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzoyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylbenzoyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide (CID 55791220) is 1-(3,5-dimethylbenzoyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylbenzoyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylbenzoyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide is Cc1cc(C)cc(C(=O)N2CCCC(C(=O)NCc3ccc(N4CCOC(C)C4)nc3)C2)c1.
What is the InChIKey of 1-(3,5-dimethylbenzoyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide?
The InChIKey is VUHGTJIMPDUIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-18-11-19(2)13-23(12-18)26(32)30-8-4-5-22(17-30)25(31)28-15-21-6-7-24(27-14-21)29-9-10-33-20(3)16-29/h6-7,11-14,20,22H,4-5,8-10,15-17H2,1-3H3,(H,28,31).
What are the key properties of 1-(3,5-dimethylbenzoyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide?
1-(3,5-dimethylbenzoyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylbenzoyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 55791220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).