1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide

C19H28N6O2 — CID 655230

IUPAC1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide
SMILESCCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H28N6O2/c1-3-4-17(24-11-9-15(10-12-24)18(20)26)19-21-22-23-25(19)13-14-5-7-16(27-2)8-6-14/h5-8,15,17H,3-4,9-13H2,1-2H3,(H2,20,26)
InChIKeyQMLMJSKTQYMHTC-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.77
Rot. Bonds8

About 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide

1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide (PubChem CID 655230) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide
PubChem CID655230
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide
SMILESCCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H28N6O2/c1-3-4-17(24-11-9-15(10-12-24)18(20)26)19-21-22-23-25(19)13-14-5-7-16(27-2)8-6-14/h5-8,15,17H,3-4,9-13H2,1-2H3,(H2,20,26)
InChIKeyQMLMJSKTQYMHTC-UHFFFAOYSA-N
XLogP1.77
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide (CID 655230) is 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide is CCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide?
The InChIKey is QMLMJSKTQYMHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-3-4-17(24-11-9-15(10-12-24)18(20)26)19-21-22-23-25(19)13-14-5-7-16(27-2)8-6-14/h5-8,15,17H,3-4,9-13H2,1-2H3,(H2,20,26).
What are the key properties of 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide?
1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide is sourced from PubChem (CID 655230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).