1-[(S)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide

C21H26N6O3S — CID 1448570

IUPAC1-[(S)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCC(C(N)=O)CC2)c(OC)c1
InChIInChI=1S/C21H26N6O3S/c1-29-15-5-6-17(18(12-15)30-2)19(26-9-7-14(8-10-26)20(22)28)21-23-24-25-27(21)13-16-4-3-11-31-16/h3-6,11-12,14,19H,7-10,13H2,1-2H3,(H2,22,28)/t19-/m0/s1
InChIKeyFCEFASGZQIGIQW-IBGZPJMESA-N
MW442.55 g/mol
LogP2.09
Rot. Bonds8

About 1-[(S)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide

1-[(S)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 1448570) has the molecular formula C21H26N6O3S and a molecular weight of 442.55 g/mol. Its IUPAC name is 1-[(S)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(S)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID1448570
Molecular FormulaC21H26N6O3S
Molecular Weight442.55 g/mol
Exact Mass442.18
IUPAC Name1-[(S)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCC(C(N)=O)CC2)c(OC)c1
InChIInChI=1S/C21H26N6O3S/c1-29-15-5-6-17(18(12-15)30-2)19(26-9-7-14(8-10-26)20(22)28)21-23-24-25-27(21)13-16-4-3-11-31-16/h3-6,11-12,14,19H,7-10,13H2,1-2H3,(H2,22,28)/t19-/m0/s1
InChIKeyFCEFASGZQIGIQW-IBGZPJMESA-N
XLogP2.09
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[(S)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
CID 3210263
1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1446928
1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3210027
1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 171668401
1-[(R)-(1-benzyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 6986067
1-[(4-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3209990
1-benzyl-4-[(1-benzyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperazine
CID 3209737
1-[(S)-(2-methoxyphenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 1445891
1-(4-methoxyphenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 1447806
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1443193
(4-methoxyphenyl)-[1-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]methanone
CID 43815958
1-(2-methoxyphenyl)-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3210274

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(S)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide (CID 1448570) is 1-[(S)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(S)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(S)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide is COc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCC(C(N)=O)CC2)c(OC)c1.
What is the InChIKey of 1-[(S)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is FCEFASGZQIGIQW-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N6O3S/c1-29-15-5-6-17(18(12-15)30-2)19(26-9-7-14(8-10-26)20(22)28)21-23-24-25-27(21)13-16-4-3-11-31-16/h3-6,11-12,14,19H,7-10,13H2,1-2H3,(H2,22,28)/t19-/m0/s1.
What are the key properties of 1-[(S)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide?
1-[(S)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 442.55 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 1448570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).