N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenyl-2-(tetrazol-1-yl)propanamide

C19H28N6O — CID 134026262

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCC1CCN(CCCNC(=O)C(Cc2ccccc2)n2cnnn2)CC1
InChIInChI=1S/C19H28N6O/c1-16-8-12-24(13-9-16)11-5-10-20-19(26)18(25-15-21-22-23-25)14-17-6-3-2-4-7-17/h2-4,6-7,15-16,18H,5,8-14H2,1H3,(H,20,26)
InChIKeyOBGYYQVDJSQVKK-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.70
Rot. Bonds8

About N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenyl-2-(tetrazol-1-yl)propanamide

N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 134026262) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID134026262
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCC1CCN(CCCNC(=O)C(Cc2ccccc2)n2cnnn2)CC1
InChIInChI=1S/C19H28N6O/c1-16-8-12-24(13-9-16)11-5-10-20-19(26)18(25-15-21-22-23-25)14-17-6-3-2-4-7-17/h2-4,6-7,15-16,18H,5,8-14H2,1H3,(H,20,26)
InChIKeyOBGYYQVDJSQVKK-UHFFFAOYSA-N
XLogP1.70
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[3-(4-methylpiperidin-1-yl)propyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 134026262) is N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenyl-2-(tetrazol-1-yl)propanamide is CC1CCN(CCCNC(=O)C(Cc2ccccc2)n2cnnn2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is OBGYYQVDJSQVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-16-8-12-24(13-9-16)11-5-10-20-19(26)18(25-15-21-22-23-25)14-17-6-3-2-4-7-17/h2-4,6-7,15-16,18H,5,8-14H2,1H3,(H,20,26).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 356.47 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 134026262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).