(2S)-N-(2H-tetrazol-5-yl)piperidine-2-carboxamide;hydrochloride

C7H13ClN6O — CID 130748103

IUPAC(2S)-N-(2H-tetrazol-5-yl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nn[nH]n1)[C@@H]1CCCCN1
InChIInChI=1S/C7H12N6O.ClH/c14-6(5-3-1-2-4-8-5)9-7-10-12-13-11-7;/h5,8H,1-4H2,(H2,9,10,11,12,13,14);1H/t5-;/m0./s1
InChIKeyUPAQKNPBNFLEIJ-JEDNCBNOSA-N
MW232.67 g/mol
LogP-0.30
Rot. Bonds2

About (2S)-N-(2H-tetrazol-5-yl)piperidine-2-carboxamide;hydrochloride

(2S)-N-(2H-tetrazol-5-yl)piperidine-2-carboxamide;hydrochloride (PubChem CID 130748103) has the molecular formula C7H13ClN6O and a molecular weight of 232.67 g/mol. Its IUPAC name is (2S)-N-(2H-tetrazol-5-yl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(2H-tetrazol-5-yl)piperidine-2-carboxamide;hydrochloride
PubChem CID130748103
Molecular FormulaC7H13ClN6O
Molecular Weight232.67 g/mol
Exact Mass232.08
IUPAC Name(2S)-N-(2H-tetrazol-5-yl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nn[nH]n1)[C@@H]1CCCCN1
InChIInChI=1S/C7H12N6O.ClH/c14-6(5-3-1-2-4-8-5)9-7-10-12-13-11-7;/h5,8H,1-4H2,(H2,9,10,11,12,13,14);1H/t5-;/m0./s1
InChIKeyUPAQKNPBNFLEIJ-JEDNCBNOSA-N
XLogP-0.30
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-N-(2H-tetrazol-5-yl)-1,3-thiazolidine-4-carboxamide
CID 130785387
N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 131159805
N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide
CID 43712968
N-(5,6-diethyl-1,2,4-triazin-3-yl)azepane-2-carboxamide
CID 114387673
N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119265892
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
(2R)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxamide
CID 104914813
CID 88938252
CID 88938252
3-amino-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide
CID 119676103
(2R)-N-(thiadiazol-5-yl)piperidine-2-carboxamide
CID 104982945
(2S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide
CID 104914702

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2H-tetrazol-5-yl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(2H-tetrazol-5-yl)piperidine-2-carboxamide;hydrochloride (CID 130748103) is (2S)-N-(2H-tetrazol-5-yl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(2H-tetrazol-5-yl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(2H-tetrazol-5-yl)piperidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1nn[nH]n1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(2H-tetrazol-5-yl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is UPAQKNPBNFLEIJ-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H12N6O.ClH/c14-6(5-3-1-2-4-8-5)9-7-10-12-13-11-7;/h5,8H,1-4H2,(H2,9,10,11,12,13,14);1H/t5-;/m0./s1.
What are the key properties of (2S)-N-(2H-tetrazol-5-yl)piperidine-2-carboxamide;hydrochloride?
(2S)-N-(2H-tetrazol-5-yl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 232.67 g/mol, XLogP of -0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2H-tetrazol-5-yl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 130748103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).