1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide

C23H26N6O2 — CID 45208952

IUPAC1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
SMILESCOc1ccc(/C=C/CN2CCCC(C(=O)Nc3cccc(-n4cnnn4)c3)C2)cc1
InChIInChI=1S/C23H26N6O2/c1-31-22-11-9-18(10-12-22)5-3-13-28-14-4-6-19(16-28)23(30)25-20-7-2-8-21(15-20)29-17-24-26-27-29/h2-3,5,7-12,15,17,19H,4,6,13-14,16H2,1H3,(H,25,30)/b5-3+
InChIKeyMMPVRFJNJGIHGC-HWKANZROSA-N
MW418.50 g/mol
LogP3.03
Rot. Bonds7

About 1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide

1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 45208952) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
PubChem CID45208952
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
SMILESCOc1ccc(/C=C/CN2CCCC(C(=O)Nc3cccc(-n4cnnn4)c3)C2)cc1
InChIInChI=1S/C23H26N6O2/c1-31-22-11-9-18(10-12-22)5-3-13-28-14-4-6-19(16-28)23(30)25-20-7-2-8-21(15-20)29-17-24-26-27-29/h2-3,5,7-12,15,17,19H,4,6,13-14,16H2,1H3,(H,25,30)/b5-3+
InChIKeyMMPVRFJNJGIHGC-HWKANZROSA-N
XLogP3.03
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45229650
1-(pyridin-4-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45233242
1-(1-benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45214258
1-[(4-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 24819389
(3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 25371663
1-(5-methyl-1,3-oxazole-4-carbonyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 72868592
1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45250339
(3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxamide
CID 42214946
N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 43702817
(E)-3-(4-methoxyphenyl)-1-[3-(tetrazol-1-yl)phenyl]prop-2-en-1-one
CID 171352894
(2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 25280698
N-(3,5-dimethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3215993

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide (CID 45208952) is 1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide is COc1ccc(/C=C/CN2CCCC(C(=O)Nc3cccc(-n4cnnn4)c3)C2)cc1.
What is the InChIKey of 1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is MMPVRFJNJGIHGC-HWKANZROSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-31-22-11-9-18(10-12-22)5-3-13-28-14-4-6-19(16-28)23(30)25-20-7-2-8-21(15-20)29-17-24-26-27-29/h2-3,5,7-12,15,17,19H,4,6,13-14,16H2,1H3,(H,25,30)/b5-3+.
What are the key properties of 1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 45208952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).