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

C13H23N3O2 — CID 81485174

IUPAC4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCNCC1CCN(C(=O)C2CNC(=O)C2)CC1
InChIInChI=1S/C13H23N3O2/c1-2-14-8-10-3-5-16(6-4-10)13(18)11-7-12(17)15-9-11/h10-11,14H,2-9H2,1H3,(H,15,17)
InChIKeyXCOPQTOCPTWCBJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP-0.03
Rot. Bonds4

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

4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 81485174) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID81485174
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCNCC1CCN(C(=O)C2CNC(=O)C2)CC1
InChIInChI=1S/C13H23N3O2/c1-2-14-8-10-3-5-16(6-4-10)13(18)11-7-12(17)15-9-11/h10-11,14H,2-9H2,1H3,(H,15,17)
InChIKeyXCOPQTOCPTWCBJ-UHFFFAOYSA-N
XLogP-0.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

cyclopropyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552531
4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one
CID 49007468
N-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 66754582
2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83192170
4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 81478905
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one
CID 119646804
5-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-2-one
CID 81470340
4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 78983107
4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78983335
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone
CID 80552587
1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 81456758
2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83192169

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 81485174) is 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one is CCNCC1CCN(C(=O)C2CNC(=O)C2)CC1.
What is the InChIKey of 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is XCOPQTOCPTWCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-14-8-10-3-5-16(6-4-10)13(18)11-7-12(17)15-9-11/h10-11,14H,2-9H2,1H3,(H,15,17).
What are the key properties of 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 253.35 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 81485174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).