1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-carboxamide

C18H26N6O2 — CID 7391572

IUPAC1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCOCCn1nnnc1[C@H](c1ccc(C)cc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H26N6O2/c1-13-3-5-14(6-4-13)16(18-20-21-22-24(18)11-12-26-2)23-9-7-15(8-10-23)17(19)25/h3-6,15-16H,7-12H2,1-2H3,(H2,19,25)/t16-/m0/s1
InChIKeyAIBAPXVNOOLIFF-INIZCTEOSA-N
MW358.45 g/mol
LogP0.91
Rot. Bonds7

About 1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-carboxamide

1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 7391572) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID7391572
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCOCCn1nnnc1[C@H](c1ccc(C)cc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H26N6O2/c1-13-3-5-14(6-4-13)16(18-20-21-22-24(18)11-12-26-2)23-9-7-15(8-10-23)17(19)25/h3-6,15-16H,7-12H2,1-2H3,(H2,19,25)/t16-/m0/s1
InChIKeyAIBAPXVNOOLIFF-INIZCTEOSA-N
XLogP0.91
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-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-[(R)-(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 7391700
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1446198
1-[(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3210366
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 3209284
4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol
CID 7383157
1-[(4-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3209990
1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide
CID 7391555
1-(2,3-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazine
CID 3209279
1-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3209845
1-[(R)-(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 1446597
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 175654218
ethyl 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate
CID 3187211

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 7391572) is 1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-carboxamide is COCCn1nnnc1[C@H](c1ccc(C)cc1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is AIBAPXVNOOLIFF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-13-3-5-14(6-4-13)16(18-20-21-22-24(18)11-12-26-2)23-9-7-15(8-10-23)17(19)25/h3-6,15-16H,7-12H2,1-2H3,(H2,19,25)/t16-/m0/s1.
What are the key properties of 1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-carboxamide?
1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 7391572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).