(3S,4S)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide

C16H21Cl2N3O2 — CID 74233056

IUPAC(3S,4S)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)N1C[C@H](O)[C@@H](N2CCCCC2)C1
InChIInChI=1S/C16H21Cl2N3O2/c17-11-6-12(18)8-13(7-11)19-16(23)21-9-14(15(22)10-21)20-4-2-1-3-5-20/h6-8,14-15,22H,1-5,9-10H2,(H,19,23)/t14-,15-/m0/s1
InChIKeyWMWLQNGEQFYSGZ-GJZGRUSLSA-N
MW358.27 g/mol
LogP3.06
Rot. Bonds2

About (3S,4S)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide

(3S,4S)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide (PubChem CID 74233056) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is (3S,4S)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide
PubChem CID74233056
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC Name(3S,4S)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)N1C[C@H](O)[C@@H](N2CCCCC2)C1
InChIInChI=1S/C16H21Cl2N3O2/c17-11-6-12(18)8-13(7-11)19-16(23)21-9-14(15(22)10-21)20-4-2-1-3-5-20/h6-8,14-15,22H,1-5,9-10H2,(H,19,23)/t14-,15-/m0/s1
InChIKeyWMWLQNGEQFYSGZ-GJZGRUSLSA-N
XLogP3.06
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
CID 67082547
(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125485
3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
CID 107654152
4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide
CID 113110558
N-(3,5-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 113223015
(3S,4R)-N-(3-cyclopentylsulfonylphenyl)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95784332
(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 107654257
N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide
CID 103774779
N-(3,5-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxamide
CID 23140022
1-[(3,5-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61185284
N-(3,5-dichlorophenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 107654345
N-(3,5-dichlorophenyl)-3-sulfamoylpiperidine-1-carboxamide
CID 103858615

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3S,4S)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide (CID 74233056) is (3S,4S)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S,4S)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S,4S)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)N1C[C@H](O)[C@@H](N2CCCCC2)C1.
What is the InChIKey of (3S,4S)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide?
The InChIKey is WMWLQNGEQFYSGZ-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H21Cl2N3O2/c17-11-6-12(18)8-13(7-11)19-16(23)21-9-14(15(22)10-21)20-4-2-1-3-5-20/h6-8,14-15,22H,1-5,9-10H2,(H,19,23)/t14-,15-/m0/s1.
What are the key properties of (3S,4S)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide?
(3S,4S)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide has a molecular weight of 358.27 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 74233056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).