4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride

C15H23Cl2N3O2 — CID 119857481

IUPAC4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cccc(N2CCCC2)c1)C1CC(O)CN1
InChIInChI=1S/C15H21N3O2.2ClH/c19-13-9-14(16-10-13)15(20)17-11-4-3-5-12(8-11)18-6-1-2-7-18;;/h3-5,8,13-14,16,19H,1-2,6-7,9-10H2,(H,17,20);2*1H
InChIKeyOKIRMPRZKKIEKO-UHFFFAOYSA-N
MW348.27 g/mol
LogP1.79
Rot. Bonds3

About 4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride

4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119857481) has the molecular formula C15H23Cl2N3O2 and a molecular weight of 348.27 g/mol. Its IUPAC name is 4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119857481
Molecular FormulaC15H23Cl2N3O2
Molecular Weight348.27 g/mol
Exact Mass347.12
IUPAC Name4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cccc(N2CCCC2)c1)C1CC(O)CN1
InChIInChI=1S/C15H21N3O2.2ClH/c19-13-9-14(16-10-13)15(20)17-11-4-3-5-12(8-11)18-6-1-2-7-18;;/h3-5,8,13-14,16,19H,1-2,6-7,9-10H2,(H,17,20);2*1H
InChIKeyOKIRMPRZKKIEKO-UHFFFAOYSA-N
XLogP1.79
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride 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

N-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119892146
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-4-hydroxypyrrolidine-2-carboxamide;trihydrochloride
CID 119902667
4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119852977
4-acetyl-N-[3-(4-acetylpiperazin-1-yl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 167881640
N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120817
4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 43124625
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670749
N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 60928576
4-hydroxy-N-(6-piperidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119840261
N-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119770525
4-hydroxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119702405

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of 4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride (CID 119857481) is 4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for 4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1cccc(N2CCCC2)c1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is OKIRMPRZKKIEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.2ClH/c19-13-9-14(16-10-13)15(20)17-11-4-3-5-12(8-11)18-6-1-2-7-18;;/h3-5,8,13-14,16,19H,1-2,6-7,9-10H2,(H,17,20);2*1H.
What are the key properties of 4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride?
4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 348.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119857481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).