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

C12H21N3O2 — CID 651282

IUPACN-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C12H21N3O2/c1-10(16)13-11-4-8-15(9-5-11)12(17)14-6-2-3-7-14/h11H,2-9H2,1H3,(H,13,16)
InChIKeyNRTSEUPSYGRVJA-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.80
Rot. Bonds1

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

N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]acetamide (PubChem CID 651282) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]acetamide
PubChem CID651282
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C12H21N3O2/c1-10(16)13-11-4-8-15(9-5-11)12(17)14-6-2-3-7-14/h11H,2-9H2,1H3,(H,13,16)
InChIKeyNRTSEUPSYGRVJA-UHFFFAOYSA-N
XLogP0.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]acetamide (CID 651282) is N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is NRTSEUPSYGRVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10(16)13-11-4-8-15(9-5-11)12(17)14-6-2-3-7-14/h11H,2-9H2,1H3,(H,13,16).
What are the key properties of N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]acetamide?
N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 239.32 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 651282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).