3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide

C17H32N4O2 — CID 119561872

IUPAC3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCNC1CCN(C(=O)C2CCCN(C(=O)NCC(C)C)C2)CC1
InChIInChI=1S/C17H32N4O2/c1-13(2)11-19-17(23)21-8-4-5-14(12-21)16(22)20-9-6-15(18-3)7-10-20/h13-15,18H,4-12H2,1-3H3,(H,19,23)
InChIKeyGJNHMRMXJNKTDI-UHFFFAOYSA-N
MW324.47 g/mol
LogP1.27
Rot. Bonds4

About 3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide

3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide (PubChem CID 119561872) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
PubChem CID119561872
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCNC1CCN(C(=O)C2CCCN(C(=O)NCC(C)C)C2)CC1
InChIInChI=1S/C17H32N4O2/c1-13(2)11-19-17(23)21-8-4-5-14(12-21)16(22)20-9-6-15(18-3)7-10-20/h13-15,18H,4-12H2,1-3H3,(H,19,23)
InChIKeyGJNHMRMXJNKTDI-UHFFFAOYSA-N
XLogP1.27
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119594752
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119578508
N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide
CID 119480787
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919
2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 119560583
[4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 119563390
3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256418
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885
(2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119243904
3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 119506996
3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120650995

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The IUPAC name of 3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide (CID 119561872) is 3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide is CNC1CCN(C(=O)C2CCCN(C(=O)NCC(C)C)C2)CC1.
What is the InChIKey of 3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The InChIKey is GJNHMRMXJNKTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-13(2)11-19-17(23)21-8-4-5-14(12-21)16(22)20-9-6-15(18-3)7-10-20/h13-15,18H,4-12H2,1-3H3,(H,19,23).
What are the key properties of 3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 119561872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).