2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide

C12H21N3O2 — CID 54873089

IUPAC2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C12H21N3O2/c13-11(16)8-9-3-6-15(7-4-9)12(17)10-2-1-5-14-10/h9-10,14H,1-8H2,(H2,13,16)
InChIKeyGBHGCYBGFCCTLR-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.15
Rot. Bonds3

About 2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide

2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 54873089) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID54873089
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C12H21N3O2/c13-11(16)8-9-3-6-15(7-4-9)12(17)10-2-1-5-14-10/h9-10,14H,1-8H2,(H2,13,16)
InChIKeyGBHGCYBGFCCTLR-UHFFFAOYSA-N
XLogP-0.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide (CID 54873089) is 2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(C(=O)C2CCCN2)CC1.
What is the InChIKey of 2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is GBHGCYBGFCCTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c13-11(16)8-9-3-6-15(7-4-9)12(17)10-2-1-5-14-10/h9-10,14H,1-8H2,(H2,13,16).
What are the key properties of 2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide?
2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 239.32 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 54873089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).