5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid

C15H29N3O3 — CID 60950165

IUPAC5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid
SMILESCN(C)CCN(C(=O)CCCC(=O)O)C1CCN(C)CC1
InChIInChI=1S/C15H29N3O3/c1-16(2)11-12-18(13-7-9-17(3)10-8-13)14(19)5-4-6-15(20)21/h13H,4-12H2,1-3H3,(H,20,21)
InChIKeyPCJWXKLIWINMRS-UHFFFAOYSA-N
MW299.41 g/mol
LogP0.73
Rot. Bonds8

About 5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid

5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid (PubChem CID 60950165) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid
PubChem CID60950165
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid
SMILESCN(C)CCN(C(=O)CCCC(=O)O)C1CCN(C)CC1
InChIInChI=1S/C15H29N3O3/c1-16(2)11-12-18(13-7-9-17(3)10-8-13)14(19)5-4-6-15(20)21/h13H,4-12H2,1-3H3,(H,20,21)
InChIKeyPCJWXKLIWINMRS-UHFFFAOYSA-N
XLogP0.73
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(1-methylpiperidin-4-yl)butanamide
CID 79203320
5-chloro-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)pentanamide
CID 60948355
3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid
CID 62232103
3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide
CID 54873923
5-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]amino]-5-oxopentanoic acid
CID 60950966
5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 43578459
N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950158
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79205212
3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-3-oxopropanoic acid
CID 114897698
2-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 61266425
2-bromo-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide
CID 114014439
7-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]heptanamide
CID 60954276

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid (CID 60950165) is 5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid is CN(C)CCN(C(=O)CCCC(=O)O)C1CCN(C)CC1.
What is the InChIKey of 5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid?
The InChIKey is PCJWXKLIWINMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-16(2)11-12-18(13-7-9-17(3)10-8-13)14(19)5-4-6-15(20)21/h13H,4-12H2,1-3H3,(H,20,21).
What are the key properties of 5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid?
5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid has a molecular weight of 299.41 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 60950165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).