N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]thiophene-2-carboxamide

C22H28N6OS — CID 56550664

IUPACN-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(CCCCCn2nnc(-c3ccccc3)n2)CC1)c1cccs1
InChIInChI=1S/C22H28N6OS/c29-22(20-10-7-17-30-20)23-19-11-15-27(16-12-19)13-5-2-6-14-28-25-21(24-26-28)18-8-3-1-4-9-18/h1,3-4,7-10,17,19H,2,5-6,11-16H2,(H,23,29)
InChIKeyFCCIDCZMNYSVGY-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.47
Rot. Bonds9

About N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]thiophene-2-carboxamide

N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 56550664) has the molecular formula C22H28N6OS and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]thiophene-2-carboxamide
PubChem CID56550664
Molecular FormulaC22H28N6OS
Molecular Weight424.57 g/mol
Exact Mass424.20
IUPAC NameN-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(CCCCCn2nnc(-c3ccccc3)n2)CC1)c1cccs1
InChIInChI=1S/C22H28N6OS/c29-22(20-10-7-17-30-20)23-19-11-15-27(16-12-19)13-5-2-6-14-28-25-21(24-26-28)18-8-3-1-4-9-18/h1,3-4,7-10,17,19H,2,5-6,11-16H2,(H,23,29)
InChIKeyFCCIDCZMNYSVGY-UHFFFAOYSA-N
XLogP3.47
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]thiophene-2-carboxamide (CID 56550664) is N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]thiophene-2-carboxamide is O=C(NC1CCN(CCCCCn2nnc(-c3ccccc3)n2)CC1)c1cccs1.
What is the InChIKey of N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is FCCIDCZMNYSVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6OS/c29-22(20-10-7-17-30-20)23-19-11-15-27(16-12-19)13-5-2-6-14-28-25-21(24-26-28)18-8-3-1-4-9-18/h1,3-4,7-10,17,19H,2,5-6,11-16H2,(H,23,29).
What are the key properties of N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]thiophene-2-carboxamide?
N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 56550664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).