(4-methoxyphenyl)-[1-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]methanone

C20H23N5O2S — CID 43815958

IUPAC(4-methoxyphenyl)-[1-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(Cc3nnnn3Cc3cccs3)CC2)cc1
InChIInChI=1S/C20H23N5O2S/c1-27-17-6-4-15(5-7-17)20(26)16-8-10-24(11-9-16)14-19-21-22-23-25(19)13-18-3-2-12-28-18/h2-7,12,16H,8-11,13-14H2,1H3
InChIKeyNGKBJJBNMKMXSA-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.89
Rot. Bonds7

About (4-methoxyphenyl)-[1-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]methanone

(4-methoxyphenyl)-[1-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]methanone (PubChem CID 43815958) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]methanone
PubChem CID43815958
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name(4-methoxyphenyl)-[1-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(Cc3nnnn3Cc3cccs3)CC2)cc1
InChIInChI=1S/C20H23N5O2S/c1-27-17-6-4-15(5-7-17)20(26)16-8-10-24(11-9-16)14-19-21-22-23-25(19)13-18-3-2-12-28-18/h2-7,12,16H,8-11,13-14H2,1H3
InChIKeyNGKBJJBNMKMXSA-UHFFFAOYSA-N
XLogP2.89
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4-methoxyphenyl)-[1-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]methanone with MolForge

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Related Compounds

1-[(S)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 1448570
(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25474112
4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911601
(4-methoxyphenyl)-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 112840004
[1-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]-phenylmethanone
CID 75438578
[1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394349
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 36987876
[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093506
1-(4-methoxyphenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 1447806
1-(4-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3209523
1-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
CID 3210263
[1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanone
CID 51326235

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[1-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]methanone (CID 43815958) is (4-methoxyphenyl)-[1-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[1-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[1-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]methanone is COc1ccc(C(=O)C2CCN(Cc3nnnn3Cc3cccs3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]methanone?
The InChIKey is NGKBJJBNMKMXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-27-17-6-4-15(5-7-17)20(26)16-8-10-24(11-9-16)14-19-21-22-23-25(19)13-18-3-2-12-28-18/h2-7,12,16H,8-11,13-14H2,1H3.
What are the key properties of (4-methoxyphenyl)-[1-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]methanone?
(4-methoxyphenyl)-[1-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]methanone has a molecular weight of 397.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 43815958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).