1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid

C15H29N3O2 — CID 114525886

IUPAC1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCN(C)CCCN1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C15H29N3O2/c1-16(2)8-4-9-17-11-6-13(7-12-17)18-10-3-5-14(18)15(19)20/h13-14H,3-12H2,1-2H3,(H,19,20)
InChIKeyZUTHQESLDQUIHU-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.95
Rot. Bonds6

About 1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid

1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 114525886) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID114525886
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCN(C)CCCN1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C15H29N3O2/c1-16(2)8-4-9-17-11-6-13(7-12-17)18-10-3-5-14(18)15(19)20/h13-14H,3-12H2,1-2H3,(H,19,20)
InChIKeyZUTHQESLDQUIHU-UHFFFAOYSA-N
XLogP0.95
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61020567
(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 51892046
1-[1-(2-acetamidoethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020451
1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61195156
1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020449
1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 54906959
1-(1-methylazepan-4-yl)pyrrolidine-2-carboxylic acid
CID 65073070
1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 65065192
(2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid
CID 68690983
1-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 65161936
(2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid
CID 83618259
1-(1-methylazepan-4-yl)azepane-2-carboxylic acid
CID 65072667

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 114525886) is 1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid is CN(C)CCCN1CCC(N2CCCC2C(=O)O)CC1.
What is the InChIKey of 1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZUTHQESLDQUIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-16(2)8-4-9-17-11-6-13(7-12-17)18-10-3-5-14(18)15(19)20/h13-14H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 283.42 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114525886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).