1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide

C25H33N5O2 — CID 55794785

IUPAC1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide
SMILESCC1CCN(c2ccc(CNC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cn2)CC1
InChIInChI=1S/C25H33N5O2/c1-19-9-13-29(14-10-19)23-8-7-20(17-26-23)18-27-25(32)30-15-11-21(12-16-30)24(31)28-22-5-3-2-4-6-22/h2-8,17,19,21H,9-16,18H2,1H3,(H,27,32)(H,28,31)
InChIKeyRLTLPRFSCOYMQA-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.88
Rot. Bonds5

About 1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide

1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 55794785) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID55794785
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide
SMILESCC1CCN(c2ccc(CNC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cn2)CC1
InChIInChI=1S/C25H33N5O2/c1-19-9-13-29(14-10-19)23-8-7-20(17-26-23)18-27-25(32)30-15-11-21(12-16-30)24(31)28-22-5-3-2-4-6-22/h2-8,17,19,21H,9-16,18H2,1H3,(H,27,32)(H,28,31)
InChIKeyRLTLPRFSCOYMQA-UHFFFAOYSA-N
XLogP3.88
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methylazepane-1-carboxamide
CID 86864363
1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
CID 55739819
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
1-benzyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55750017
2-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55749921
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119846267
2-[(3-methylphenyl)carbamoylamino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 87045751
4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide
CID 55846067
4-N-phenyl-1-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 41199883
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 56540241
4-(4-hydroxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide
CID 78853904
(2R)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-2-carboxamide
CID 119846204

Frequently Asked Questions

What is the IUPAC name of 1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide (CID 55794785) is 1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide is CC1CCN(c2ccc(CNC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cn2)CC1.
What is the InChIKey of 1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is RLTLPRFSCOYMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-19-9-13-29(14-10-19)23-8-7-20(17-26-23)18-27-25(32)30-15-11-21(12-16-30)24(31)28-22-5-3-2-4-6-22/h2-8,17,19,21H,9-16,18H2,1H3,(H,27,32)(H,28,31).
What are the key properties of 1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide?
1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 435.57 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 55794785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).