(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid

C12H21N3O3 — CID 81125729

IUPAC(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESNC1CCN(C(=O)N2CCC[C@H](C(=O)O)C2)CC1
InChIInChI=1S/C12H21N3O3/c13-10-3-6-14(7-4-10)12(18)15-5-1-2-9(8-15)11(16)17/h9-10H,1-8,13H2,(H,16,17)/t9-/m0/s1
InChIKeyISKLZHDEKPOMIX-VIFPVBQESA-N
MW255.32 g/mol
LogP0.33
Rot. Bonds1

About (3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid

(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid (PubChem CID 81125729) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is (3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
PubChem CID81125729
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESNC1CCN(C(=O)N2CCC[C@H](C(=O)O)C2)CC1
InChIInChI=1S/C12H21N3O3/c13-10-3-6-14(7-4-10)12(18)15-5-1-2-9(8-15)11(16)17/h9-10H,1-8,13H2,(H,16,17)/t9-/m0/s1
InChIKeyISKLZHDEKPOMIX-VIFPVBQESA-N
XLogP0.33
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 119376301
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid
CID 62064175
1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
CID 63627410
1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 43586350
(3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 106670650
(3R)-1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 81126775
(3R)-1-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120190
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone
CID 80552459
(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81127706
1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid
CID 61442764
(3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 81125475

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid (CID 81125729) is (3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid is NC1CCN(C(=O)N2CCC[C@H](C(=O)O)C2)CC1.
What is the InChIKey of (3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is ISKLZHDEKPOMIX-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21N3O3/c13-10-3-6-14(7-4-10)12(18)15-5-1-2-9(8-15)11(16)17/h9-10H,1-8,13H2,(H,16,17)/t9-/m0/s1.
What are the key properties of (3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81125729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).