3-(3-methoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(5-methyltetrazol-1-yl)propanamide

C21H32N6O2 — CID 47040948

IUPAC3-(3-methoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(5-methyltetrazol-1-yl)propanamide
SMILESCOc1cccc(CC(C(=O)NCCCN2CCCCC2C)n2nnnc2C)c1
InChIInChI=1S/C21H32N6O2/c1-16-8-4-5-12-26(16)13-7-11-22-21(28)20(27-17(2)23-24-25-27)15-18-9-6-10-19(14-18)29-3/h6,9-10,14,16,20H,4-5,7-8,11-13,15H2,1-3H3,(H,22,28)
InChIKeyPRLNSIINHHTVHG-UHFFFAOYSA-N
MW400.53 g/mol
LogP2.15
Rot. Bonds9

About 3-(3-methoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(5-methyltetrazol-1-yl)propanamide

3-(3-methoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(5-methyltetrazol-1-yl)propanamide (PubChem CID 47040948) has the molecular formula C21H32N6O2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(5-methyltetrazol-1-yl)propanamide
PubChem CID47040948
Molecular FormulaC21H32N6O2
Molecular Weight400.53 g/mol
Exact Mass400.26
IUPAC Name3-(3-methoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(5-methyltetrazol-1-yl)propanamide
SMILESCOc1cccc(CC(C(=O)NCCCN2CCCCC2C)n2nnnc2C)c1
InChIInChI=1S/C21H32N6O2/c1-16-8-4-5-12-26(16)13-7-11-22-21(28)20(27-17(2)23-24-25-27)15-18-9-6-10-19(14-18)29-3/h6,9-10,14,16,20H,4-5,7-8,11-13,15H2,1-3H3,(H,22,28)
InChIKeyPRLNSIINHHTVHG-UHFFFAOYSA-N
XLogP2.15
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 52.15
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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Related Compounds

1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 86943734
(2S)-3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)-N-propan-2-ylpropanamide
CID 94027742
1-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111371129
ethyl 1-[3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-3-carboxylate
CID 47038973
2-[(3-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide
CID 24782975
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111249000
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111249886
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 4003297
N-[(3-methoxyphenyl)methyl]-6-[3-(2-methylpiperidin-1-yl)propoxy]naphthalene-2-carboxamide
CID 69074724
4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide
CID 125447918
N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 119619312
4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 51221501

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(5-methyltetrazol-1-yl)propanamide (CID 47040948) is 3-(3-methoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(5-methyltetrazol-1-yl)propanamide is COc1cccc(CC(C(=O)NCCCN2CCCCC2C)n2nnnc2C)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is PRLNSIINHHTVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O2/c1-16-8-4-5-12-26(16)13-7-11-22-21(28)20(27-17(2)23-24-25-27)15-18-9-6-10-19(14-18)29-3/h6,9-10,14,16,20H,4-5,7-8,11-13,15H2,1-3H3,(H,22,28).
What are the key properties of 3-(3-methoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(5-methyltetrazol-1-yl)propanamide?
3-(3-methoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 400.53 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 47040948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).