2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylacetamide

C18H31N7O2 — CID 45221468

IUPAC2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylacetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)N(CC2CCC(=O)N2)C(C)C)CC1
InChIInChI=1S/C18H31N7O2/c1-13(2)24(10-15-4-5-17(26)19-15)18(27)12-25-16(20-21-22-25)11-23-8-6-14(3)7-9-23/h13-15H,4-12H2,1-3H3,(H,19,26)
InChIKeyYXGDFYFNELVZMQ-UHFFFAOYSA-N
MW377.49 g/mol
LogP0.42
Rot. Bonds7

About 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylacetamide

2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylacetamide (PubChem CID 45221468) has the molecular formula C18H31N7O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylacetamide
PubChem CID45221468
Molecular FormulaC18H31N7O2
Molecular Weight377.49 g/mol
Exact Mass377.25
IUPAC Name2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylacetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)N(CC2CCC(=O)N2)C(C)C)CC1
InChIInChI=1S/C18H31N7O2/c1-13(2)24(10-15-4-5-17(26)19-15)18(27)12-25-16(20-21-22-25)11-23-8-6-14(3)7-9-23/h13-15H,4-12H2,1-3H3,(H,19,26)
InChIKeyYXGDFYFNELVZMQ-UHFFFAOYSA-N
XLogP0.42
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylacetamide (CID 45221468) is 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylacetamide is CC1CCN(Cc2nnnn2CC(=O)N(CC2CCC(=O)N2)C(C)C)CC1.
What is the InChIKey of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylacetamide?
The InChIKey is YXGDFYFNELVZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N7O2/c1-13(2)24(10-15-4-5-17(26)19-15)18(27)12-25-16(20-21-22-25)11-23-8-6-14(3)7-9-23/h13-15H,4-12H2,1-3H3,(H,19,26).
What are the key properties of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylacetamide?
2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylacetamide has a molecular weight of 377.49 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 45221468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).