(2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide

C16H22N6O — CID 124758816

IUPAC(2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide
SMILESO=C(NCCc1nn[nH]n1)[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C16H22N6O/c23-16(17-10-9-15-18-20-21-19-15)14-8-4-5-11-22(14)12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,17,23)(H,18,19,20,21)/t14-/m1/s1
InChIKeyZRGXZTLEXYTUDW-CQSZACIVSA-N
MW314.39 g/mol
LogP0.91
Rot. Bonds6

About (2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide

(2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide (PubChem CID 124758816) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is (2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide
PubChem CID124758816
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name(2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide
SMILESO=C(NCCc1nn[nH]n1)[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C16H22N6O/c23-16(17-10-9-15-18-20-21-19-15)14-8-4-5-11-22(14)12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,17,23)(H,18,19,20,21)/t14-/m1/s1
InChIKeyZRGXZTLEXYTUDW-CQSZACIVSA-N
XLogP0.91
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide
CID 99984925
(2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide
CID 99984929
1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride
CID 119433038
1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea
CID 126450941
N-[2-(4-aminophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 119548242
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride
CID 119393584
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 120947149
1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119558347
1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 51098589
N-(3-phenylpropyl)-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 134803452
3-[[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 125118795

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide (CID 124758816) is (2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide is O=C(NCCc1nn[nH]n1)[C@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is ZRGXZTLEXYTUDW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N6O/c23-16(17-10-9-15-18-20-21-19-15)14-8-4-5-11-22(14)12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,17,23)(H,18,19,20,21)/t14-/m1/s1.
What are the key properties of (2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide?
(2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 124758816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).