2-carbamoylpiperidine-4-carboxylic acid;hydrochloride

C7H13ClN2O3 — CID 71756318

IUPAC2-carbamoylpiperidine-4-carboxylic acid;hydrochloride
SMILESCl.NC(=O)C1CC(C(=O)O)CCN1
InChIInChI=1S/C7H12N2O3.ClH/c8-6(10)5-3-4(7(11)12)1-2-9-5;/h4-5,9H,1-3H2,(H2,8,10)(H,11,12);1H
InChIKeyUECLMVQBBSPOFH-UHFFFAOYSA-N
MW208.64 g/mol
LogP-0.65
Rot. Bonds2

About 2-carbamoylpiperidine-4-carboxylic acid;hydrochloride

2-carbamoylpiperidine-4-carboxylic acid;hydrochloride (PubChem CID 71756318) has the molecular formula C7H13ClN2O3 and a molecular weight of 208.64 g/mol. Its IUPAC name is 2-carbamoylpiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-carbamoylpiperidine-4-carboxylic acid;hydrochloride
PubChem CID71756318
Molecular FormulaC7H13ClN2O3
Molecular Weight208.64 g/mol
Exact Mass208.06
IUPAC Name2-carbamoylpiperidine-4-carboxylic acid;hydrochloride
SMILESCl.NC(=O)C1CC(C(=O)O)CCN1
InChIInChI=1S/C7H12N2O3.ClH/c8-6(10)5-3-4(7(11)12)1-2-9-5;/h4-5,9H,1-3H2,(H2,8,10)(H,11,12);1H
InChIKeyUECLMVQBBSPOFH-UHFFFAOYSA-N
XLogP-0.65
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-piperidine-2,4-dicarboxamide
CID 95970376
azetidine-2-carboxylic acid;hydrochloride
CID 45358168
4-(aminomethyl)piperidine-2-carboxamide
CID 19078890
(2S,4S)-4-methylpiperidine-2-carboxylic acid;(2R,4R)-4-methylpiperidine-2-carboxylic acid;dihydrochloride
CID 171921042
(2R,4S)-4-tert-butylpiperidine-2-carboxamide
CID 178190291
(2S)-4-phenylpiperidine-2-carboxamide
CID 129163808
(2S)-5-cyclopropylazepane-2-carboxamide
CID 163441383
4-methylpyrrolidine-2-carboxamide;hydrochloride
CID 175423092
(2S,4S)-2-(trifluoromethyl)piperidine-4-carboxylic acid
CID 124547925
2-propan-2-ylpiperidine-4-carboxylic acid
CID 82412056
2-cyclopentylpiperidine-4-carboxylic acid
CID 82398754
[(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid
CID 14850749

Frequently Asked Questions

What is the IUPAC name of 2-carbamoylpiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 2-carbamoylpiperidine-4-carboxylic acid;hydrochloride (CID 71756318) is 2-carbamoylpiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-carbamoylpiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2-carbamoylpiperidine-4-carboxylic acid;hydrochloride is Cl.NC(=O)C1CC(C(=O)O)CCN1.
What is the InChIKey of 2-carbamoylpiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is UECLMVQBBSPOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3.ClH/c8-6(10)5-3-4(7(11)12)1-2-9-5;/h4-5,9H,1-3H2,(H2,8,10)(H,11,12);1H.
What are the key properties of 2-carbamoylpiperidine-4-carboxylic acid;hydrochloride?
2-carbamoylpiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 208.64 g/mol, XLogP of -0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoylpiperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 71756318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).