N-[(2R)-3-methylbutan-2-yl]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-4-carboxamide

C19H28N6O — CID 52511709

IUPACN-[(2R)-3-methylbutan-2-yl]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-4-carboxamide
SMILESCc1ccc(-n2nnnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1
InChIInChI=1S/C19H28N6O/c1-13(2)15(4)20-18(26)16-9-11-24(12-10-16)19-21-22-23-25(19)17-7-5-14(3)6-8-17/h5-8,13,15-16H,9-12H2,1-4H3,(H,20,26)/t15-/m1/s1
InChIKeyHOXFFSVRNPYDQD-OAHLLOKOSA-N
MW356.47 g/mol
LogP2.35
Rot. Bonds5

About N-[(2R)-3-methylbutan-2-yl]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-4-carboxamide

N-[(2R)-3-methylbutan-2-yl]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-4-carboxamide (PubChem CID 52511709) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-4-carboxamide
PubChem CID52511709
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-4-carboxamide
SMILESCc1ccc(-n2nnnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1
InChIInChI=1S/C19H28N6O/c1-13(2)15(4)20-18(26)16-9-11-24(12-10-16)19-21-22-23-25(19)17-7-5-14(3)6-8-17/h5-8,13,15-16H,9-12H2,1-4H3,(H,20,26)/t15-/m1/s1
InChIKeyHOXFFSVRNPYDQD-OAHLLOKOSA-N
XLogP2.35
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
CID 43815678
[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol
CID 47292903
1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid
CID 122051249
2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone
CID 167985381
1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 94794763
N-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 9407683
(3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide
CID 94521674
5-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid
CID 122106801
1-[1-(4-methylphenyl)tetrazol-5-yl]-4-pyrazol-1-ylpiperidine
CID 133277918
N-[(2S)-3-methylbutan-2-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 100568345
1-[1-(4-methylphenyl)tetrazol-5-yl]-4-(1-methylpyrazol-4-yl)piperidine
CID 133300635
N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide
CID 133274899

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-4-carboxamide (CID 52511709) is N-[(2R)-3-methylbutan-2-yl]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-4-carboxamide is Cc1ccc(-n2nnnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-4-carboxamide?
The InChIKey is HOXFFSVRNPYDQD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N6O/c1-13(2)15(4)20-18(26)16-9-11-24(12-10-16)19-21-22-23-25(19)17-7-5-14(3)6-8-17/h5-8,13,15-16H,9-12H2,1-4H3,(H,20,26)/t15-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-4-carboxamide?
N-[(2R)-3-methylbutan-2-yl]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 52511709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).