1-(2,5-dichlorobenzoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride

C17H22Cl3N3O2 — CID 119424492

IUPAC1-(2,5-dichlorobenzoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)C1CCCN1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H21Cl2N3O2.ClH/c18-11-5-6-14(19)13(9-11)17(24)22-8-2-4-15(22)16(23)21-12-3-1-7-20-10-12;/h5-6,9,12,15,20H,1-4,7-8,10H2,(H,21,23);1H
InChIKeyAFMBICFHCGRKLO-UHFFFAOYSA-N
MW406.74 g/mol
LogP2.89
Rot. Bonds3

About 1-(2,5-dichlorobenzoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride

1-(2,5-dichlorobenzoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119424492) has the molecular formula C17H22Cl3N3O2 and a molecular weight of 406.74 g/mol. Its IUPAC name is 1-(2,5-dichlorobenzoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,5-dichlorobenzoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID119424492
Molecular FormulaC17H22Cl3N3O2
Molecular Weight406.74 g/mol
Exact Mass405.08
IUPAC Name1-(2,5-dichlorobenzoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)C1CCCN1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H21Cl2N3O2.ClH/c18-11-5-6-14(19)13(9-11)17(24)22-8-2-4-15(22)16(23)21-12-3-1-7-20-10-12;/h5-6,9,12,15,20H,1-4,7-8,10H2,(H,21,23);1H
InChIKeyAFMBICFHCGRKLO-UHFFFAOYSA-N
XLogP2.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.74
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorobenzoyl)-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 120554488
1-(3,4-dichlorobenzoyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 119453399
1-(2,5-dichlorobenzoyl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 55849133
1-(5-chloro-2-methoxybenzoyl)-N-cycloheptylpyrrolidine-2-carboxamide
CID 55624080
2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid
CID 119171180
(2S)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 94061701
(2R)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 94061700
N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120507098
(2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 51937320
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427327
(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-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(2,5-dichlorobenzoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride (CID 119424492) is 1-(2,5-dichlorobenzoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,5-dichlorobenzoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,5-dichlorobenzoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NC1CCCNC1)C1CCCN1C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorobenzoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is AFMBICFHCGRKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O2.ClH/c18-11-5-6-14(19)13(9-11)17(24)22-8-2-4-15(22)16(23)21-12-3-1-7-20-10-12;/h5-6,9,12,15,20H,1-4,7-8,10H2,(H,21,23);1H.
What are the key properties of 1-(2,5-dichlorobenzoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride?
1-(2,5-dichlorobenzoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 406.74 g/mol, XLogP of 2.89, 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-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119424492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).