2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride

C12H23ClN2O3 — CID 67009761

IUPAC2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride
SMILESCCN(CC)C(=O)C1CCCN(CC(=O)O)C1.Cl
InChIInChI=1S/C12H22N2O3.ClH/c1-3-14(4-2)12(17)10-6-5-7-13(8-10)9-11(15)16;/h10H,3-9H2,1-2H3,(H,15,16);1H
InChIKeyBAETXRJRLDGXQJ-UHFFFAOYSA-N
MW278.78 g/mol
LogP1.07
Rot. Bonds5

About 2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride

2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride (PubChem CID 67009761) has the molecular formula C12H23ClN2O3 and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride
PubChem CID67009761
Molecular FormulaC12H23ClN2O3
Molecular Weight278.78 g/mol
Exact Mass278.14
IUPAC Name2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride
SMILESCCN(CC)C(=O)C1CCCN(CC(=O)O)C1.Cl
InChIInChI=1S/C12H22N2O3.ClH/c1-3-14(4-2)12(17)10-6-5-7-13(8-10)9-11(15)16;/h10H,3-9H2,1-2H3,(H,15,16);1H
InChIKeyBAETXRJRLDGXQJ-UHFFFAOYSA-N
XLogP1.07
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]acetic acid;hydrochloride
CID 119923251
1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385879
(3R)-N,N-diethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxamide
CID 782727
(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
(3R)-N,N-diethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 26457997
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid
CID 52903753
(3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1377142
2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
CID 46735976
(3S)-N,N-diethyl-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 764291
(3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 7047247
(3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide
CID 92685694
N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 6456406

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride (CID 67009761) is 2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride is CCN(CC)C(=O)C1CCCN(CC(=O)O)C1.Cl.
What is the InChIKey of 2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride?
The InChIKey is BAETXRJRLDGXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3.ClH/c1-3-14(4-2)12(17)10-6-5-7-13(8-10)9-11(15)16;/h10H,3-9H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride?
2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride has a molecular weight of 278.78 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride is sourced from PubChem (CID 67009761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).