N-methoxy-N-[2-[4-(2-methyltetrazol-5-yl)phenyl]ethyl]piperidine-4-carboxamide

C17H24N6O2 — CID 87539874

IUPACN-methoxy-N-[2-[4-(2-methyltetrazol-5-yl)phenyl]ethyl]piperidine-4-carboxamide
SMILESCON(CCc1ccc(-c2nnn(C)n2)cc1)C(=O)C1CCNCC1
InChIInChI=1S/C17H24N6O2/c1-22-20-16(19-21-22)14-5-3-13(4-6-14)9-12-23(25-2)17(24)15-7-10-18-11-8-15/h3-6,15,18H,7-12H2,1-2H3
InChIKeyWZOBWALNHRJETI-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.81
Rot. Bonds6

About N-methoxy-N-[2-[4-(2-methyltetrazol-5-yl)phenyl]ethyl]piperidine-4-carboxamide

N-methoxy-N-[2-[4-(2-methyltetrazol-5-yl)phenyl]ethyl]piperidine-4-carboxamide (PubChem CID 87539874) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-methoxy-N-[2-[4-(2-methyltetrazol-5-yl)phenyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-[2-[4-(2-methyltetrazol-5-yl)phenyl]ethyl]piperidine-4-carboxamide
PubChem CID87539874
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-methoxy-N-[2-[4-(2-methyltetrazol-5-yl)phenyl]ethyl]piperidine-4-carboxamide
SMILESCON(CCc1ccc(-c2nnn(C)n2)cc1)C(=O)C1CCNCC1
InChIInChI=1S/C17H24N6O2/c1-22-20-16(19-21-22)14-5-3-13(4-6-14)9-12-23(25-2)17(24)15-7-10-18-11-8-15/h3-6,15,18H,7-12H2,1-2H3
InChIKeyWZOBWALNHRJETI-UHFFFAOYSA-N
XLogP0.81
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-Cyclopentyl-3-(5-p-tolyl-tetrazol-2-yl)-propionamide
CID 645245
N-(2-Cyclohex-1-enyl-ethyl)-2-(5-p-tolyl-tetrazol-2-yl)-acetamide
CID 846203
2-[5-(4-Isopropyl-phenyl)-tetrazol-2-yl]-1-piperidin-1-yl-ethanone
CID 860139
2-[5-(4-Isopropyl-phenyl)-tetrazol-2-yl]-1-(4-methyl-piperidin-1-yl)-ethanone
CID 860141
N-cyclohexyl-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 3220588
N-methyl-1-[[4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]methyl]piperidine-4-carboxamide
CID 172437110
2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide
CID 177376615
2-amino-N-[6-[5-(4-methylphenyl)tetrazol-2-yl]hexyl]acetamide
CID 177376617
2-[5-(4-methylphenyl)-2H-tetrazol-2-yl]-N-(2-phenylethyl)acetamide
CID 589408
N-(2-(cyclohex-1-en-1-yl)ethyl)-2-(5-phenyl-2H-tetrazol-2-yl)acetamide
CID 6494435
N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
CID 59738284
N-[(3-fluorophenyl)methyl]-2,2-dimethyl-3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
CID 59738285

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-[2-[4-(2-methyltetrazol-5-yl)phenyl]ethyl]piperidine-4-carboxamide?
The IUPAC name of N-methoxy-N-[2-[4-(2-methyltetrazol-5-yl)phenyl]ethyl]piperidine-4-carboxamide (CID 87539874) is N-methoxy-N-[2-[4-(2-methyltetrazol-5-yl)phenyl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methoxy-N-[2-[4-(2-methyltetrazol-5-yl)phenyl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-methoxy-N-[2-[4-(2-methyltetrazol-5-yl)phenyl]ethyl]piperidine-4-carboxamide is CON(CCc1ccc(-c2nnn(C)n2)cc1)C(=O)C1CCNCC1.
What is the InChIKey of N-methoxy-N-[2-[4-(2-methyltetrazol-5-yl)phenyl]ethyl]piperidine-4-carboxamide?
The InChIKey is WZOBWALNHRJETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-22-20-16(19-21-22)14-5-3-13(4-6-14)9-12-23(25-2)17(24)15-7-10-18-11-8-15/h3-6,15,18H,7-12H2,1-2H3.
What are the key properties of N-methoxy-N-[2-[4-(2-methyltetrazol-5-yl)phenyl]ethyl]piperidine-4-carboxamide?
N-methoxy-N-[2-[4-(2-methyltetrazol-5-yl)phenyl]ethyl]piperidine-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-[2-[4-(2-methyltetrazol-5-yl)phenyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 87539874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).