2-hydroxypropane-1,2,3-tricarboxylic acid;2,2,6,6-tetramethyl-N-propyl-N-(pyridin-3-ylmethyl)piperidin-4-amine

C24H39N3O7 — CID 118747379

IUPAC2-hydroxypropane-1,2,3-tricarboxylic acid;2,2,6,6-tetramethyl-N-propyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESCCCN(Cc1cccnc1)C1CC(C)(C)NC(C)(C)C1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C18H31N3.C6H8O7/c1-6-10-21(14-15-8-7-9-19-13-15)16-11-17(2,3)20-18(4,5)12-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-9,13,16,20H,6,10-12,14H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyJRUPJXGDHJPOOP-UHFFFAOYSA-N
MW481.59 g/mol
LogP2.35
Rot. Bonds10

About 2-hydroxypropane-1,2,3-tricarboxylic acid;2,2,6,6-tetramethyl-N-propyl-N-(pyridin-3-ylmethyl)piperidin-4-amine

2-hydroxypropane-1,2,3-tricarboxylic acid;2,2,6,6-tetramethyl-N-propyl-N-(pyridin-3-ylmethyl)piperidin-4-amine (PubChem CID 118747379) has the molecular formula C24H39N3O7 and a molecular weight of 481.59 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid;2,2,6,6-tetramethyl-N-propyl-N-(pyridin-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylic acid;2,2,6,6-tetramethyl-N-propyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
PubChem CID118747379
Molecular FormulaC24H39N3O7
Molecular Weight481.59 g/mol
Exact Mass481.28
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;2,2,6,6-tetramethyl-N-propyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESCCCN(Cc1cccnc1)C1CC(C)(C)NC(C)(C)C1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C18H31N3.C6H8O7/c1-6-10-21(14-15-8-7-9-19-13-15)16-11-17(2,3)20-18(4,5)12-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-9,13,16,20H,6,10-12,14H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyJRUPJXGDHJPOOP-UHFFFAOYSA-N
XLogP2.35
TPSA160.29 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 52.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-hydroxypropane-1,2,3-tricarboxylic acid;2,2,6,6-tetramethyl-N-propyl-N-(pyridin-3-ylmethyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxypropane-1,2,3-tricarboxylic acid;2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 171700562
N-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171669884
N-benzyl-N-(1H-imidazol-5-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 118747308
2-hydroxypropane-1,2,3-tricarboxylic acid;methyl 4-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzoate
CID 171669887
2-hydroxypropane-1,2,3-tricarboxylic acid;4-methyl-2-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenol
CID 171672018
2-hydroxypropane-1,2,3-tricarboxylic acid;3-[[pyridin-4-ylmethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]chromen-4-one
CID 171672013
4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79112211
N'-[2-(4-chlorophenyl)-2-methylpropyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671809
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 16677206
N-propyl-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 55244721
2-hydroxypropane-1,2,3-tricarboxylic acid;N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 171700563
4-[propyl(pyridin-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 66252672

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;2,2,6,6-tetramethyl-N-propyl-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;2,2,6,6-tetramethyl-N-propyl-N-(pyridin-3-ylmethyl)piperidin-4-amine (CID 118747379) is 2-hydroxypropane-1,2,3-tricarboxylic acid;2,2,6,6-tetramethyl-N-propyl-N-(pyridin-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylic acid;2,2,6,6-tetramethyl-N-propyl-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylic acid;2,2,6,6-tetramethyl-N-propyl-N-(pyridin-3-ylmethyl)piperidin-4-amine is CCCN(Cc1cccnc1)C1CC(C)(C)NC(C)(C)C1.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-hydroxypropane-1,2,3-tricarboxylic acid;2,2,6,6-tetramethyl-N-propyl-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The InChIKey is JRUPJXGDHJPOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3.C6H8O7/c1-6-10-21(14-15-8-7-9-19-13-15)16-11-17(2,3)20-18(4,5)12-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-9,13,16,20H,6,10-12,14H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylic acid;2,2,6,6-tetramethyl-N-propyl-N-(pyridin-3-ylmethyl)piperidin-4-amine?
2-hydroxypropane-1,2,3-tricarboxylic acid;2,2,6,6-tetramethyl-N-propyl-N-(pyridin-3-ylmethyl)piperidin-4-amine has a molecular weight of 481.59 g/mol, XLogP of 2.35, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1,2,3-tricarboxylic acid;2,2,6,6-tetramethyl-N-propyl-N-(pyridin-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 118747379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).