4-benzyl-1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine

C23H29N5S — CID 651241

IUPAC4-benzyl-1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine
SMILESc1ccc(CC2CCN(C(c3cccs3)c3nnnn3C3CCCC3)CC2)cc1
InChIInChI=1S/C23H29N5S/c1-2-7-18(8-3-1)17-19-12-14-27(15-13-19)22(21-11-6-16-29-21)23-24-25-26-28(23)20-9-4-5-10-20/h1-3,6-8,11,16,19-20,22H,4-5,9-10,12-15,17H2
InChIKeyWBPKXTWRJCZAKT-UHFFFAOYSA-N
MW407.59 g/mol
LogP4.89
Rot. Bonds6

About 4-benzyl-1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine

4-benzyl-1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine (PubChem CID 651241) has the molecular formula C23H29N5S and a molecular weight of 407.59 g/mol. Its IUPAC name is 4-benzyl-1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine
PubChem CID651241
Molecular FormulaC23H29N5S
Molecular Weight407.59 g/mol
Exact Mass407.21
IUPAC Name4-benzyl-1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine
SMILESc1ccc(CC2CCN(C(c3cccs3)c3nnnn3C3CCCC3)CC2)cc1
InChIInChI=1S/C23H29N5S/c1-2-7-18(8-3-1)17-19-12-14-27(15-13-19)22(21-11-6-16-29-21)23-24-25-26-28(23)20-9-4-5-10-20/h1-3,6-8,11,16,19-20,22H,4-5,9-10,12-15,17H2
InChIKeyWBPKXTWRJCZAKT-UHFFFAOYSA-N
XLogP4.89
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.59
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine?
The IUPAC name of 4-benzyl-1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine (CID 651241) is 4-benzyl-1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine?
The canonical SMILES for 4-benzyl-1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine is c1ccc(CC2CCN(C(c3cccs3)c3nnnn3C3CCCC3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine?
The InChIKey is WBPKXTWRJCZAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5S/c1-2-7-18(8-3-1)17-19-12-14-27(15-13-19)22(21-11-6-16-29-21)23-24-25-26-28(23)20-9-4-5-10-20/h1-3,6-8,11,16,19-20,22H,4-5,9-10,12-15,17H2.
What are the key properties of 4-benzyl-1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine?
4-benzyl-1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine has a molecular weight of 407.59 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine is sourced from PubChem (CID 651241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).