N-(4-methyl-1,3-thiazol-2-yl)-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-4-carboxamide

C22H29N7OS — CID 56550241

IUPACN-(4-methyl-1,3-thiazol-2-yl)-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(CCCCCn3nnc(-c4ccccc4)n3)CC2)n1
InChIInChI=1S/C22H29N7OS/c1-17-16-31-22(23-17)24-21(30)19-10-14-28(15-11-19)12-6-3-7-13-29-26-20(25-27-29)18-8-4-2-5-9-18/h2,4-5,8-9,16,19H,3,6-7,10-15H2,1H3,(H,23,24,30)
InChIKeyKDCAWNVQMXDXBO-UHFFFAOYSA-N
MW439.59 g/mol
LogP3.63
Rot. Bonds9

About N-(4-methyl-1,3-thiazol-2-yl)-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-4-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-4-carboxamide (PubChem CID 56550241) has the molecular formula C22H29N7OS and a molecular weight of 439.59 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-4-carboxamide
PubChem CID56550241
Molecular FormulaC22H29N7OS
Molecular Weight439.59 g/mol
Exact Mass439.22
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(CCCCCn3nnc(-c4ccccc4)n3)CC2)n1
InChIInChI=1S/C22H29N7OS/c1-17-16-31-22(23-17)24-21(30)19-10-14-28(15-11-19)12-6-3-7-13-29-26-20(25-27-29)18-8-4-2-5-9-18/h2,4-5,8-9,16,19H,3,6-7,10-15H2,1H3,(H,23,24,30)
InChIKeyKDCAWNVQMXDXBO-UHFFFAOYSA-N
XLogP3.63
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-4-carboxamide (CID 56550241) is N-(4-methyl-1,3-thiazol-2-yl)-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-4-carboxamide is Cc1csc(NC(=O)C2CCN(CCCCCn3nnc(-c4ccccc4)n3)CC2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-4-carboxamide?
The InChIKey is KDCAWNVQMXDXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7OS/c1-17-16-31-22(23-17)24-21(30)19-10-14-28(15-11-19)12-6-3-7-13-29-26-20(25-27-29)18-8-4-2-5-9-18/h2,4-5,8-9,16,19H,3,6-7,10-15H2,1H3,(H,23,24,30).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-4-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-4-carboxamide has a molecular weight of 439.59 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-4-carboxamide is sourced from PubChem (CID 56550241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).