3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide

C15H30N4O2 — CID 119506996

IUPAC3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
SMILESCCNCCNC(=O)C1CCCN(C(=O)NCC(C)C)C1
InChIInChI=1S/C15H30N4O2/c1-4-16-7-8-17-14(20)13-6-5-9-19(11-13)15(21)18-10-12(2)3/h12-13,16H,4-11H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyOKRHBBMMKRNYOM-UHFFFAOYSA-N
MW298.43 g/mol
LogP0.79
Rot. Bonds7

About 3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide

3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide (PubChem CID 119506996) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
PubChem CID119506996
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
SMILESCCNCCNC(=O)C1CCCN(C(=O)NCC(C)C)C1
InChIInChI=1S/C15H30N4O2/c1-4-16-7-8-17-14(20)13-6-5-9-19(11-13)15(21)18-10-12(2)3/h12-13,16H,4-11H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyOKRHBBMMKRNYOM-UHFFFAOYSA-N
XLogP0.79
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120650995
N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide
CID 119480787
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919
3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119482486
(2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119243904
3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119526290
3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119561872
(3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 95981578
5-[[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110568
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119208888

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide (CID 119506996) is 3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide is CCNCCNC(=O)C1CCCN(C(=O)NCC(C)C)C1.
What is the InChIKey of 3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The InChIKey is OKRHBBMMKRNYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-4-16-7-8-17-14(20)13-6-5-9-19(11-13)15(21)18-10-12(2)3/h12-13,16H,4-11H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide has a molecular weight of 298.43 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 119506996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).