2-[1-(1-piperidin-4-ylpyrrolidine-2-carbonyl)azetidin-3-yl]acetic acid

C15H25N3O3 — CID 64604814

IUPAC2-[1-(1-piperidin-4-ylpyrrolidine-2-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2CCCN2C2CCNCC2)C1
InChIInChI=1S/C15H25N3O3/c19-14(20)8-11-9-17(10-11)15(21)13-2-1-7-18(13)12-3-5-16-6-4-12/h11-13,16H,1-10H2,(H,19,20)
InChIKeyFFLDFSKZUJXXOJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.14
Rot. Bonds4

About 2-[1-(1-piperidin-4-ylpyrrolidine-2-carbonyl)azetidin-3-yl]acetic acid

2-[1-(1-piperidin-4-ylpyrrolidine-2-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64604814) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[1-(1-piperidin-4-ylpyrrolidine-2-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-piperidin-4-ylpyrrolidine-2-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64604814
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[1-(1-piperidin-4-ylpyrrolidine-2-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2CCCN2C2CCNCC2)C1
InChIInChI=1S/C15H25N3O3/c19-14(20)8-11-9-17(10-11)15(21)13-2-1-7-18(13)12-3-5-16-6-4-12/h11-13,16H,1-10H2,(H,19,20)
InChIKeyFFLDFSKZUJXXOJ-UHFFFAOYSA-N
XLogP0.14
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61020228
[(3S)-3-hydroxypiperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 107222957
(4,4-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 62931613
(4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 114678294
(4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61019778
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 115965183
2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid
CID 61158377
1-piperidin-4-ylpiperidine-2-carboxylic acid
CID 21098979
[1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61176841
piperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone
CID 54981939
cyclopropylmethyl 1-piperidin-4-ylpyrrolidine-2-carboxylate
CID 61150843
(2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61020224

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-piperidin-4-ylpyrrolidine-2-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-piperidin-4-ylpyrrolidine-2-carbonyl)azetidin-3-yl]acetic acid (CID 64604814) is 2-[1-(1-piperidin-4-ylpyrrolidine-2-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-piperidin-4-ylpyrrolidine-2-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-piperidin-4-ylpyrrolidine-2-carbonyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)C2CCCN2C2CCNCC2)C1.
What is the InChIKey of 2-[1-(1-piperidin-4-ylpyrrolidine-2-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is FFLDFSKZUJXXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c19-14(20)8-11-9-17(10-11)15(21)13-2-1-7-18(13)12-3-5-16-6-4-12/h11-13,16H,1-10H2,(H,19,20).
What are the key properties of 2-[1-(1-piperidin-4-ylpyrrolidine-2-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(1-piperidin-4-ylpyrrolidine-2-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 295.38 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-piperidin-4-ylpyrrolidine-2-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64604814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).