3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride

C17H33ClN4O2 — CID 119442831

IUPAC3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride
SMILESCC(C)CNC(=O)N1CCCC(C(=O)N(C)C2CCNCC2)C1.Cl
InChIInChI=1S/C17H32N4O2.ClH/c1-13(2)11-19-17(23)21-10-4-5-14(12-21)16(22)20(3)15-6-8-18-9-7-15;/h13-15,18H,4-12H2,1-3H3,(H,19,23);1H
InChIKeyTYMPOKHSECJOPQ-UHFFFAOYSA-N
MW360.93 g/mol
LogP1.70
Rot. Bonds4

About 3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride

3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride (PubChem CID 119442831) has the molecular formula C17H33ClN4O2 and a molecular weight of 360.93 g/mol. Its IUPAC name is 3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride
PubChem CID119442831
Molecular FormulaC17H33ClN4O2
Molecular Weight360.93 g/mol
Exact Mass360.23
IUPAC Name3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride
SMILESCC(C)CNC(=O)N1CCCC(C(=O)N(C)C2CCNCC2)C1.Cl
InChIInChI=1S/C17H32N4O2.ClH/c1-13(2)11-19-17(23)21-10-4-5-14(12-21)16(22)20(3)15-6-8-18-9-7-15;/h13-15,18H,4-12H2,1-3H3,(H,19,23);1H
InChIKeyTYMPOKHSECJOPQ-UHFFFAOYSA-N
XLogP1.70
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride with MolForge

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Related Compounds

1-N-(2-methylpropyl)-3-N-propyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide
CID 119531454
3-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119444654
2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119208888
1-butanoyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide;hydrochloride
CID 119443592
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
3-N-(3-amino-2,2-dimethylpropyl)-3-N-methyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 119654700
3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119578508
(2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119243904
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919
1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119554864
3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120650995
3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119418872

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride (CID 119442831) is 3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride is CC(C)CNC(=O)N1CCCC(C(=O)N(C)C2CCNCC2)C1.Cl.
What is the InChIKey of 3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride?
The InChIKey is TYMPOKHSECJOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2.ClH/c1-13(2)11-19-17(23)21-10-4-5-14(12-21)16(22)20(3)15-6-8-18-9-7-15;/h13-15,18H,4-12H2,1-3H3,(H,19,23);1H.
What are the key properties of 3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride?
3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride has a molecular weight of 360.93 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 119442831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).