(3R)-3-methyl-1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine

C20H25N5S — CID 6557848

IUPAC(3R)-3-methyl-1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine
SMILESC[C@@H]1CCCN([C@@H](c2cccs2)c2nnnn2CCc2ccccc2)C1
InChIInChI=1S/C20H25N5S/c1-16-7-5-12-24(15-16)19(18-10-6-14-26-18)20-21-22-23-25(20)13-11-17-8-3-2-4-9-17/h2-4,6,8-10,14,16,19H,5,7,11-13,15H2,1H3/t16-,19+/m1/s1
InChIKeyXTBUYGUTNMGODQ-APWZRJJASA-N
MW367.52 g/mol
LogP3.80
Rot. Bonds6

About (3R)-3-methyl-1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine

(3R)-3-methyl-1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine (PubChem CID 6557848) has the molecular formula C20H25N5S and a molecular weight of 367.52 g/mol. Its IUPAC name is (3R)-3-methyl-1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine
PubChem CID6557848
Molecular FormulaC20H25N5S
Molecular Weight367.52 g/mol
Exact Mass367.18
IUPAC Name(3R)-3-methyl-1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine
SMILESC[C@@H]1CCCN([C@@H](c2cccs2)c2nnnn2CCc2ccccc2)C1
InChIInChI=1S/C20H25N5S/c1-16-7-5-12-24(15-16)19(18-10-6-14-26-18)20-21-22-23-25(20)13-11-17-8-3-2-4-9-17/h2-4,6,8-10,14,16,19H,5,7,11-13,15H2,1H3/t16-,19+/m1/s1
InChIKeyXTBUYGUTNMGODQ-APWZRJJASA-N
XLogP3.80
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-4-ol
CID 3213464
1-cyclohexyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine
CID 3213458
4-[4-[(S)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazin-1-yl]phenol
CID 1454781
6-methoxy-3-[(3-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 3195802
4-methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine
CID 3213475
1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-1-ium-4-ol
CID 7390809
1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine
CID 3213474
1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine
CID 51685867
(8aS)-2-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124766331
1-[(R)-(2-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1449183
1-cyclopentyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 3210504
1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
CID 3210459

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine?
The IUPAC name of (3R)-3-methyl-1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine (CID 6557848) is (3R)-3-methyl-1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine.
What is the SMILES notation for (3R)-3-methyl-1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine?
The canonical SMILES for (3R)-3-methyl-1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine is C[C@@H]1CCCN([C@@H](c2cccs2)c2nnnn2CCc2ccccc2)C1.
What is the InChIKey of (3R)-3-methyl-1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine?
The InChIKey is XTBUYGUTNMGODQ-APWZRJJASA-N. The full InChI is InChI=1S/C20H25N5S/c1-16-7-5-12-24(15-16)19(18-10-6-14-26-18)20-21-22-23-25(20)13-11-17-8-3-2-4-9-17/h2-4,6,8-10,14,16,19H,5,7,11-13,15H2,1H3/t16-,19+/m1/s1.
What are the key properties of (3R)-3-methyl-1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine?
(3R)-3-methyl-1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine has a molecular weight of 367.52 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine is sourced from PubChem (CID 6557848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).