(3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid

C13H23N3O3 — CID 81125475

IUPAC(3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid
SMILESNC1CCN(CC(=O)N2CCC[C@H](C(=O)O)C2)CC1
InChIInChI=1S/C13H23N3O3/c14-11-3-6-15(7-4-11)9-12(17)16-5-1-2-10(8-16)13(18)19/h10-11H,1-9,14H2,(H,18,19)/t10-/m0/s1
InChIKeyDSHIJRBUOPIBPE-JTQLQIEISA-N
MW269.34 g/mol
LogP-0.27
Rot. Bonds3

About (3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid

(3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 81125475) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is (3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID81125475
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name(3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid
SMILESNC1CCN(CC(=O)N2CCC[C@H](C(=O)O)C2)CC1
InChIInChI=1S/C13H23N3O3/c14-11-3-6-15(7-4-11)9-12(17)16-5-1-2-10(8-16)13(18)19/h10-11H,1-9,14H2,(H,18,19)/t10-/m0/s1
InChIKeyDSHIJRBUOPIBPE-JTQLQIEISA-N
XLogP-0.27
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylic acid
CID 81125395
2-(4-aminopiperidin-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107222871
1-[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119905154
1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119933651
2-(4-aminopiperidin-1-yl)-1-(3-ethylpiperidin-1-yl)ethanone
CID 79327467
1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441474
2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride
CID 119933833
(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125729
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 94340668
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
CID 61296313
N-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-3-yl]acetamide;hydrochloride
CID 119908203

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid (CID 81125475) is (3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid is NC1CCN(CC(=O)N2CCC[C@H](C(=O)O)C2)CC1.
What is the InChIKey of (3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is DSHIJRBUOPIBPE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23N3O3/c14-11-3-6-15(7-4-11)9-12(17)16-5-1-2-10(8-16)13(18)19/h10-11H,1-9,14H2,(H,18,19)/t10-/m0/s1.
What are the key properties of (3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid?
(3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81125475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).