(3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid

C14H24N2O4 — CID 107228221

IUPAC(3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)N2CCCC(CCO)C2)C1
InChIInChI=1S/C14H24N2O4/c17-8-5-11-3-1-6-15(9-11)14(20)16-7-2-4-12(10-16)13(18)19/h11-12,17H,1-10H2,(H,18,19)/t11?,12-/m0/s1
InChIKeyMUTFKWQPTLLURU-KIYNQFGBSA-N
MW284.36 g/mol
LogP1.00
Rot. Bonds3

About (3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid

(3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid (PubChem CID 107228221) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
PubChem CID107228221
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)N2CCCC(CCO)C2)C1
InChIInChI=1S/C14H24N2O4/c17-8-5-11-3-1-6-15(9-11)14(20)16-7-2-4-12(10-16)13(18)19/h11-12,17H,1-10H2,(H,18,19)/t11?,12-/m0/s1
InChIKeyMUTFKWQPTLLURU-KIYNQFGBSA-N
XLogP1.00
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3-propylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 113418347
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
(3S)-1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 81126149
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid
CID 62064175
(3S)-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid
CID 81125571
(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125729
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
(3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 106670650
2-cyclohexyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372498
1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid
CID 61442764
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
(3S)-1-(3,4-dimethylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81123191

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid (CID 107228221) is (3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)N2CCCC(CCO)C2)C1.
What is the InChIKey of (3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is MUTFKWQPTLLURU-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-8-5-11-3-1-6-15(9-11)14(20)16-7-2-4-12(10-16)13(18)19/h11-12,17H,1-10H2,(H,18,19)/t11?,12-/m0/s1.
What are the key properties of (3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid?
(3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 107228221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).