4-benzyl-1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine

C23H31N5S — CID 1431025

IUPAC4-benzyl-1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine
SMILESCCC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H31N5S/c1-4-23(2,3)28-22(24-25-26-28)21(20-11-8-16-29-20)27-14-12-19(13-15-27)17-18-9-6-5-7-10-18/h5-11,16,19,21H,4,12-15,17H2,1-3H3/t21-/m1/s1
InChIKeyBBOGMAUAIWZMEI-OAQYLSRUSA-N
MW409.60 g/mol
LogP4.92
Rot. Bonds7

About 4-benzyl-1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine

4-benzyl-1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine (PubChem CID 1431025) has the molecular formula C23H31N5S and a molecular weight of 409.60 g/mol. Its IUPAC name is 4-benzyl-1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine
PubChem CID1431025
Molecular FormulaC23H31N5S
Molecular Weight409.60 g/mol
Exact Mass409.23
IUPAC Name4-benzyl-1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine
SMILESCCC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H31N5S/c1-4-23(2,3)28-22(24-25-26-28)21(20-11-8-16-29-20)27-14-12-19(13-15-27)17-18-9-6-5-7-10-18/h5-11,16,19,21H,4,12-15,17H2,1-3H3/t21-/m1/s1
InChIKeyBBOGMAUAIWZMEI-OAQYLSRUSA-N
XLogP4.92
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzyl-1-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine
CID 1431022
4-benzyl-1-[(1S)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine
CID 1430991
2-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]-3,4-dihydro-1H-isoquinoline
CID 3193383
3-[(S)-(4-benzylpiperidin-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 40595093
1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 6603093
1-benzhydryl-4-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine
CID 28626221
4-benzyl-1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine
CID 1428697
1-[(R)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-methylpiperazine
CID 1489640
1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide
CID 1444441
1-ethyl-4-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 1444406
1-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-4-ol
CID 3213464
1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine
CID 51685867

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine?
The IUPAC name of 4-benzyl-1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine (CID 1431025) is 4-benzyl-1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine?
The canonical SMILES for 4-benzyl-1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine is CCC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine?
The InChIKey is BBOGMAUAIWZMEI-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H31N5S/c1-4-23(2,3)28-22(24-25-26-28)21(20-11-8-16-29-20)27-14-12-19(13-15-27)17-18-9-6-5-7-10-18/h5-11,16,19,21H,4,12-15,17H2,1-3H3/t21-/m1/s1.
What are the key properties of 4-benzyl-1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine?
4-benzyl-1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine has a molecular weight of 409.60 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine is sourced from PubChem (CID 1431025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).