(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid

C13H24N2O3 — CID 28512445

IUPAC(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCCN(CCC)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-3-7-14(8-4-2)13(18)15-9-5-6-11(10-15)12(16)17/h11H,3-10H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyLJFFMWNSKSIIKD-LLVKDONJSA-N
MW256.35 g/mol
LogP2.03
Rot. Bonds5

About (3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid

(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 28512445) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID28512445
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCCN(CCC)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-3-7-14(8-4-2)13(18)15-9-5-6-11(10-15)12(16)17/h11H,3-10H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyLJFFMWNSKSIIKD-LLVKDONJSA-N
XLogP2.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid
CID 81119933
1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 43270721
2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
(3R)-1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid
CID 103103373
(3R)-1-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120005
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 61013155
(3S)-1-[butan-2-yl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126152
(3S)-1-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81126397
(3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120598
(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120822
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid
CID 63286603
(3S)-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxylic acid
CID 28734803

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid (CID 28512445) is (3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid is CCCN(CCC)C(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is LJFFMWNSKSIIKD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-7-14(8-4-2)13(18)15-9-5-6-11(10-15)12(16)17/h11H,3-10H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid?
(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 28512445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).