1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid

C14H25N3O3 — CID 63032278

IUPAC1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCN1CCC(CNC(=O)N2CCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H25N3O3/c1-2-16-6-3-11(4-7-16)9-15-14(20)17-8-5-12(10-17)13(18)19/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyXFMZAZZFEVRZMW-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.83
Rot. Bonds4

About 1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid

1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63032278) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63032278
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCN1CCC(CNC(=O)N2CCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H25N3O3/c1-2-16-6-3-11(4-7-16)9-15-14(20)17-8-5-12(10-17)13(18)19/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyXFMZAZZFEVRZMW-UHFFFAOYSA-N
XLogP0.83
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid 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

(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
4-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 118688704
1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 60855267
1-[4-(acetamidomethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 102736752
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885
1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031772
(3S)-1-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81118903
1-(2-piperidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55149905
1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031585
1-(3-methylsulfanylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63958995

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 63032278) is 1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is CCN1CCC(CNC(=O)N2CCC(C(=O)O)C2)CC1.
What is the InChIKey of 1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is XFMZAZZFEVRZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-16-6-3-11(4-7-16)9-15-14(20)17-8-5-12(10-17)13(18)19/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).