1-(2,5-dichlorobenzoyl)-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride

C18H24Cl3N3O2 — CID 120554488

IUPAC1-(2,5-dichlorobenzoyl)-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C1CCCN1C(=O)c1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C18H23Cl2N3O2.ClH/c1-11-10-21-7-6-15(11)22-17(24)16-3-2-8-23(16)18(25)13-9-12(19)4-5-14(13)20;/h4-5,9,11,15-16,21H,2-3,6-8,10H2,1H3,(H,22,24);1H
InChIKeyWVVWTYVGULSBJM-UHFFFAOYSA-N
MW420.77 g/mol
LogP3.13
Rot. Bonds3

About 1-(2,5-dichlorobenzoyl)-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride

1-(2,5-dichlorobenzoyl)-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120554488) has the molecular formula C18H24Cl3N3O2 and a molecular weight of 420.77 g/mol. Its IUPAC name is 1-(2,5-dichlorobenzoyl)-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,5-dichlorobenzoyl)-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120554488
Molecular FormulaC18H24Cl3N3O2
Molecular Weight420.77 g/mol
Exact Mass419.09
IUPAC Name1-(2,5-dichlorobenzoyl)-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C1CCCN1C(=O)c1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C18H23Cl2N3O2.ClH/c1-11-10-21-7-6-15(11)22-17(24)16-3-2-8-23(16)18(25)13-9-12(19)4-5-14(13)20;/h4-5,9,11,15-16,21H,2-3,6-8,10H2,1H3,(H,22,24);1H
InChIKeyWVVWTYVGULSBJM-UHFFFAOYSA-N
XLogP3.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.77
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorobenzoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
CID 119424492
1-benzoyl-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 120556752
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
1-(3,4-dichlorobenzoyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 119453399
N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120507098
2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid
CID 119171180
2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide
CID 120554233
5-chloro-2-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556533
1-(2,5-dichlorobenzoyl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 55849133
1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide
CID 120555744
(2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 51937320
(2R)-1-(2,5-dichlorobenzoyl)-N'-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2-carbohydrazide
CID 51938469

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorobenzoyl)-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(2,5-dichlorobenzoyl)-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride (CID 120554488) is 1-(2,5-dichlorobenzoyl)-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,5-dichlorobenzoyl)-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,5-dichlorobenzoyl)-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride is CC1CNCCC1NC(=O)C1CCCN1C(=O)c1cc(Cl)ccc1Cl.Cl.
What is the InChIKey of 1-(2,5-dichlorobenzoyl)-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is WVVWTYVGULSBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O2.ClH/c1-11-10-21-7-6-15(11)22-17(24)16-3-2-8-23(16)18(25)13-9-12(19)4-5-14(13)20;/h4-5,9,11,15-16,21H,2-3,6-8,10H2,1H3,(H,22,24);1H.
What are the key properties of 1-(2,5-dichlorobenzoyl)-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride?
1-(2,5-dichlorobenzoyl)-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 420.77 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorobenzoyl)-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120554488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).