4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one

C12H21N3O2 — CID 81478905

IUPAC4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(N)C1CCN(C(=O)C2CNC(=O)C2)CC1
InChIInChI=1S/C12H21N3O2/c1-8(13)9-2-4-15(5-3-9)12(17)10-6-11(16)14-7-10/h8-10H,2-7,13H2,1H3,(H,14,16)
InChIKeyXTKYWCNAFKXUQX-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.29
Rot. Bonds2

About 4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one

4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 81478905) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID81478905
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(N)C1CCN(C(=O)C2CNC(=O)C2)CC1
InChIInChI=1S/C12H21N3O2/c1-8(13)9-2-4-15(5-3-9)12(17)10-6-11(16)14-7-10/h8-10H,2-7,13H2,1H3,(H,14,16)
InChIKeyXTKYWCNAFKXUQX-UHFFFAOYSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 81485174
4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one
CID 49007468
N-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 66754582
1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 81456758
4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78983335
(4R)-4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 119520526
3-(4-propan-2-ylpiperidine-1-carbonyl)cyclobutan-1-one
CID 118086789
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 112630526
5-[2-(1-aminoethyl)morpholine-4-carbonyl]piperidin-2-one
CID 81484363
5-(azepane-1-carbonyl)piperidin-2-one
CID 112728735
5-(azocane-1-carbonyl)piperidin-2-one
CID 112728799
4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
CID 137372946

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 81478905) is 4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one is CC(N)C1CCN(C(=O)C2CNC(=O)C2)CC1.
What is the InChIKey of 4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is XTKYWCNAFKXUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(13)9-2-4-15(5-3-9)12(17)10-6-11(16)14-7-10/h8-10H,2-7,13H2,1H3,(H,14,16).
What are the key properties of 4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 239.32 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 81478905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).