1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid

C17H20ClN3O4 — CID 122001630

IUPAC1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NC2CCN(c3ccccc3Cl)C2=O)C1
InChIInChI=1S/C17H20ClN3O4/c18-12-5-1-2-6-14(12)21-9-7-13(15(21)22)19-17(25)20-8-3-4-11(10-20)16(23)24/h1-2,5-6,11,13H,3-4,7-10H2,(H,19,25)(H,23,24)
InChIKeyGJXBYNFRZYHZRM-UHFFFAOYSA-N
MW365.82 g/mol
LogP1.95
Rot. Bonds3

About 1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid

1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122001630) has the molecular formula C17H20ClN3O4 and a molecular weight of 365.82 g/mol. Its IUPAC name is 1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122001630
Molecular FormulaC17H20ClN3O4
Molecular Weight365.82 g/mol
Exact Mass365.11
IUPAC Name1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NC2CCN(c3ccccc3Cl)C2=O)C1
InChIInChI=1S/C17H20ClN3O4/c18-12-5-1-2-6-14(12)21-9-7-13(15(21)22)19-17(25)20-8-3-4-11(10-20)16(23)24/h1-2,5-6,11,13H,3-4,7-10H2,(H,19,25)(H,23,24)
InChIKeyGJXBYNFRZYHZRM-UHFFFAOYSA-N
XLogP1.95
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122003462
1-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122003176
1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide
CID 119334574
1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122011576
(3R)-1-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120954
1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea
CID 71994500
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide
CID 120500650
N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 95322197
2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-phenylacetamide;hydrochloride
CID 119334565
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide;hydrochloride
CID 119321185
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide
CID 136527689
(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 97013871

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid (CID 122001630) is 1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)NC2CCN(c3ccccc3Cl)C2=O)C1.
What is the InChIKey of 1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is GJXBYNFRZYHZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4/c18-12-5-1-2-6-14(12)21-9-7-13(15(21)22)19-17(25)20-8-3-4-11(10-20)16(23)24/h1-2,5-6,11,13H,3-4,7-10H2,(H,19,25)(H,23,24).
What are the key properties of 1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 365.82 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122001630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).