4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]benzamide

C19H28N4O2 — CID 67479882

IUPAC4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]benzamide
SMILESCN(C(=O)CN1CCCCC1)C1CCN(c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C19H28N4O2/c1-21(18(24)14-22-10-3-2-4-11-22)17-9-12-23(13-17)16-7-5-15(6-8-16)19(20)25/h5-8,17H,2-4,9-14H2,1H3,(H2,20,25)
InChIKeyCPCQTPHCHULOBT-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.31
Rot. Bonds5

About 4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]benzamide

4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]benzamide (PubChem CID 67479882) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]benzamide
PubChem CID67479882
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]benzamide
SMILESCN(C(=O)CN1CCCCC1)C1CCN(c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C19H28N4O2/c1-21(18(24)14-22-10-3-2-4-11-22)17-9-12-23(13-17)16-7-5-15(6-8-16)19(20)25/h5-8,17H,2-4,9-14H2,1H3,(H2,20,25)
InChIKeyCPCQTPHCHULOBT-UHFFFAOYSA-N
XLogP1.31
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]benzamide?
The IUPAC name of 4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]benzamide (CID 67479882) is 4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]benzamide.
What is the SMILES notation for 4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]benzamide?
The canonical SMILES for 4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]benzamide is CN(C(=O)CN1CCCCC1)C1CCN(c2ccc(C(N)=O)cc2)C1.
What is the InChIKey of 4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]benzamide?
The InChIKey is CPCQTPHCHULOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-21(18(24)14-22-10-3-2-4-11-22)17-9-12-23(13-17)16-7-5-15(6-8-16)19(20)25/h5-8,17H,2-4,9-14H2,1H3,(H2,20,25).
What are the key properties of 4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]benzamide?
4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]benzamide has a molecular weight of 344.46 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 67479882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).