1-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid

C17H21Cl2N3O3 — CID 122009300

IUPAC1-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NC2CCN(c3ccc(Cl)c(Cl)c3)C2)C1
InChIInChI=1S/C17H21Cl2N3O3/c18-14-4-3-13(8-15(14)19)21-7-5-12(10-21)20-17(25)22-6-1-2-11(9-22)16(23)24/h3-4,8,11-12H,1-2,5-7,9-10H2,(H,20,25)(H,23,24)
InChIKeyQTQRSQDDJOKNTD-UHFFFAOYSA-N
MW386.28 g/mol
LogP3.08
Rot. Bonds3

About 1-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid

1-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122009300) has the molecular formula C17H21Cl2N3O3 and a molecular weight of 386.28 g/mol. Its IUPAC name is 1-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122009300
Molecular FormulaC17H21Cl2N3O3
Molecular Weight386.28 g/mol
Exact Mass385.10
IUPAC Name1-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NC2CCN(c3ccc(Cl)c(Cl)c3)C2)C1
InChIInChI=1S/C17H21Cl2N3O3/c18-14-4-3-13(8-15(14)19)21-7-5-12(10-21)20-17(25)22-6-1-2-11(9-22)16(23)24/h3-4,8,11-12H,1-2,5-7,9-10H2,(H,20,25)(H,23,24)
InChIKeyQTQRSQDDJOKNTD-UHFFFAOYSA-N
XLogP3.08
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoyl]piperidine-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

1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122003462
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812
3-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoylamino]propanoic acid
CID 122009296
1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60860458
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892
1-[[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122012001
(3S)-1-(cyclohex-3-en-1-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81123190
1-(3-chloro-4-cyanophenyl)piperidine-3-carboxylic acid
CID 62944659
(3S)-1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 78925353
N-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 167917066
(3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120821
(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120293

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid (CID 122009300) is 1-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)NC2CCN(c3ccc(Cl)c(Cl)c3)C2)C1.
What is the InChIKey of 1-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is QTQRSQDDJOKNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O3/c18-14-4-3-13(8-15(14)19)21-7-5-12(10-21)20-17(25)22-6-1-2-11(9-22)16(23)24/h3-4,8,11-12H,1-2,5-7,9-10H2,(H,20,25)(H,23,24).
What are the key properties of 1-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
1-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 386.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122009300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).