(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid

C13H23N3O3 — CID 81120892

IUPAC(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCN1CCCC(NC(=O)N2CCC[C@@H](C(=O)O)C2)C1
InChIInChI=1S/C13H23N3O3/c1-15-6-3-5-11(9-15)14-13(19)16-7-2-4-10(8-16)12(17)18/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18)/t10-,11?/m1/s1
InChIKeyJRAVDOXVJIVOTB-NFJWQWPMSA-N
MW269.34 g/mol
LogP0.59
Rot. Bonds2

About (3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid

(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81120892) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is (3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81120892
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCN1CCCC(NC(=O)N2CCC[C@@H](C(=O)O)C2)C1
InChIInChI=1S/C13H23N3O3/c1-15-6-3-5-11(9-15)14-13(19)16-7-2-4-10(8-16)12(17)18/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18)/t10-,11?/m1/s1
InChIKeyJRAVDOXVJIVOTB-NFJWQWPMSA-N
XLogP0.59
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(3-ethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126411
(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126261
(3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125593
1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 114505369
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119353705
(3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120821
1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid
CID 122013071
3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783132
1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
1-[[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122012001
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid (CID 81120892) is (3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid is CN1CCCC(NC(=O)N2CCC[C@@H](C(=O)O)C2)C1.
What is the InChIKey of (3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is JRAVDOXVJIVOTB-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-15-6-3-5-11(9-15)14-13(19)16-7-2-4-10(8-16)12(17)18/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18)/t10-,11?/m1/s1.
What are the key properties of (3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).