1-(oxolane-2-carbonyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide

C19H24N6O3 — CID 91844312

IUPAC1-(oxolane-2-carbonyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1cccc(-c2nn[nH]n2)c1)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C19H24N6O3/c26-18(14-6-8-25(9-7-14)19(27)16-5-2-10-28-16)20-12-13-3-1-4-15(11-13)17-21-23-24-22-17/h1,3-4,11,14,16H,2,5-10,12H2,(H,20,26)(H,21,22,23,24)
InChIKeyMXKHNFXEHRQVIM-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.90
Rot. Bonds5

About 1-(oxolane-2-carbonyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide

1-(oxolane-2-carbonyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 91844312) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-(oxolane-2-carbonyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(oxolane-2-carbonyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID91844312
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name1-(oxolane-2-carbonyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1cccc(-c2nn[nH]n2)c1)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C19H24N6O3/c26-18(14-6-8-25(9-7-14)19(27)16-5-2-10-28-16)20-12-13-3-1-4-15(11-13)17-21-23-24-22-17/h1,3-4,11,14,16H,2,5-10,12H2,(H,20,26)(H,21,22,23,24)
InChIKeyMXKHNFXEHRQVIM-UHFFFAOYSA-N
XLogP0.90
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(oxolane-2-carbonyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113004216
(1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 125447493
N-[2-(3-chlorophenyl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113005952
N-[(3-bromophenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 60605667
(4R)-4-hydroxy-4-(hydroxymethyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]azepane-1-carboxamide
CID 125448692
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 91837567
N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 45203674
[(2S)-2-[4-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
CID 146471208
N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163
N-[3-[[[N-methyl-C-[4-(oxolane-2-carbonyl)piperazin-1-yl]carbonimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111301879
N-(4-methyl-6-phenylpyrimidin-2-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 157018089
N-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719111

Frequently Asked Questions

What is the IUPAC name of 1-(oxolane-2-carbonyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(oxolane-2-carbonyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide (CID 91844312) is 1-(oxolane-2-carbonyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(oxolane-2-carbonyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(oxolane-2-carbonyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide is O=C(NCc1cccc(-c2nn[nH]n2)c1)C1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 1-(oxolane-2-carbonyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is MXKHNFXEHRQVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c26-18(14-6-8-25(9-7-14)19(27)16-5-2-10-28-16)20-12-13-3-1-4-15(11-13)17-21-23-24-22-17/h1,3-4,11,14,16H,2,5-10,12H2,(H,20,26)(H,21,22,23,24).
What are the key properties of 1-(oxolane-2-carbonyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide?
1-(oxolane-2-carbonyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolane-2-carbonyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 91844312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).