(1-methylpyrrol-2-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

C12H16N6O — CID 110196488

IUPAC(1-methylpyrrol-2-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C12H16N6O/c1-17-6-3-5-10(17)12(19)18-7-2-4-9(8-18)11-13-15-16-14-11/h3,5-6,9H,2,4,7-8H2,1H3,(H,13,14,15,16)
InChIKeyXATVMYSNOBXKRU-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.56
Rot. Bonds2

About (1-methylpyrrol-2-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

(1-methylpyrrol-2-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 110196488) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID110196488
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name(1-methylpyrrol-2-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C12H16N6O/c1-17-6-3-5-10(17)12(19)18-7-2-4-9(8-18)11-13-15-16-14-11/h3,5-6,9H,2,4,7-8H2,1H3,(H,13,14,15,16)
InChIKeyXATVMYSNOBXKRU-UHFFFAOYSA-N
XLogP0.56
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
CID 22514526
N-hydroxy-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 135567437
5-ethyl-2-(1H-tetrazol-5-yl)-pyrrolo-[1,2-a]-quinoxaline-4(5H)-one
CID 13770491
[(3S)-3-(dimethylamino)-3-[1-(3-methylbutyl)tetrazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 164639415
[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone
CID 3234289
[3-(4-Methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 53499111
2-{methyl[(4-methyl-5-{1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)methyl]amino}ethanol
CID 70710538
[(3aS,6aR)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 97452887
[1-[2-(Dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone
CID 97493588
5-propyl-2-(2H-tetrazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-one
CID 168295372
2-Methyl-5-[3-(1H-1,2,3,4-tetrazol-5-YL)piperidine-1-carbonyl]pyridine
CID 110196479
3-[5-(2-Methoxyethyl)-4H-1,2,4-triazol-3-YL]-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine
CID 53192139

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (CID 110196488) is (1-methylpyrrol-2-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is Cn1cccc1C(=O)N1CCCC(c2nn[nH]n2)C1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is XATVMYSNOBXKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-17-6-3-5-10(17)12(19)18-7-2-4-9(8-18)11-13-15-16-14-11/h3,5-6,9H,2,4,7-8H2,1H3,(H,13,14,15,16).
What are the key properties of (1-methylpyrrol-2-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
(1-methylpyrrol-2-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 260.30 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110196488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).