1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid

C20H29N3O3 — CID 119907519

IUPAC1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)CC1)NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C20H29N3O3/c24-19(15-23-11-7-18(8-12-23)20(25)26)21-13-16-3-5-17(6-4-16)14-22-9-1-2-10-22/h3-6,18H,1-2,7-15H2,(H,21,24)(H,25,26)
InChIKeyKFXAZCDIUBKANR-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.70
Rot. Bonds7

About 1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid

1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid (PubChem CID 119907519) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid
PubChem CID119907519
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)CC1)NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C20H29N3O3/c24-19(15-23-11-7-18(8-12-23)20(25)26)21-13-16-3-5-17(6-4-16)14-22-9-1-2-10-22/h3-6,18H,1-2,7-15H2,(H,21,24)(H,25,26)
InChIKeyKFXAZCDIUBKANR-UHFFFAOYSA-N
XLogP1.70
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-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

2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
1-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid
CID 119907147
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530947
2-(4-methylpiperidin-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8558402
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 51232557
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
(3aS,6aR)-2-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120681181
2-(4-benzoylpiperidin-1-yl)-N-benzylacetamide
CID 26037570
1-[[4-[[(2-chloroacetyl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide
CID 154871087
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 120704106
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid (CID 119907519) is 1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid is O=C(CN1CCC(C(=O)O)CC1)NCc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid?
The InChIKey is KFXAZCDIUBKANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-19(15-23-11-7-18(8-12-23)20(25)26)21-13-16-3-5-17(6-4-16)14-22-9-1-2-10-22/h3-6,18H,1-2,7-15H2,(H,21,24)(H,25,26).
What are the key properties of 1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid?
1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid has a molecular weight of 359.47 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119907519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).