N-(3,5-dichlorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide

C17H23Cl2N3O — CID 119930519

IUPACN-(3,5-dichlorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C1CCCN1CC1CCNCC1
InChIInChI=1S/C17H23Cl2N3O/c18-13-8-14(19)10-15(9-13)21-17(23)16-2-1-7-22(16)11-12-3-5-20-6-4-12/h8-10,12,16,20H,1-7,11H2,(H,21,23)
InChIKeyHBXBQMUIFYJOPZ-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.40
Rot. Bonds4

About N-(3,5-dichlorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide

N-(3,5-dichlorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 119930519) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID119930519
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC NameN-(3,5-dichlorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C1CCCN1CC1CCNCC1
InChIInChI=1S/C17H23Cl2N3O/c18-13-8-14(19)10-15(9-13)21-17(23)16-2-1-7-22(16)11-12-3-5-20-6-4-12/h8-10,12,16,20H,1-7,11H2,(H,21,23)
InChIKeyHBXBQMUIFYJOPZ-UHFFFAOYSA-N
XLogP3.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,5-dichlorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide 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-(3,5-dichlorophenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 120981014
N-(3,5-dichlorophenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120981013
N-(2-methoxy-5-methylphenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 119931825
1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 46406069
3-[[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 122028709
N-(3,5-dichlorophenyl)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]pyrrolidine-2-carboxamide
CID 46406252
N-(3,5-dichlorophenyl)-1-(2-pyrrolidin-2-ylacetyl)pyrrolidine-2-carboxamide
CID 119731301
N-(3,5-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide
CID 46406174
N-(3,5-dichlorophenyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 55628088
N-(4-chlorophenyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61020001
N-(3,5-dichlorophenyl)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55627894
N-(3,5-dichlorophenyl)-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120623358

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide (CID 119930519) is N-(3,5-dichlorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)C1CCCN1CC1CCNCC1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is HBXBQMUIFYJOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O/c18-13-8-14(19)10-15(9-13)21-17(23)16-2-1-7-22(16)11-12-3-5-20-6-4-12/h8-10,12,16,20H,1-7,11H2,(H,21,23).
What are the key properties of N-(3,5-dichlorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide?
N-(3,5-dichlorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 356.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119930519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).