N-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide

C20H28BrN3O2 — CID 42927390

IUPACN-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCC(C(=O)N3CCCC3)CC2)c(Br)c1
InChIInChI=1S/C20H28BrN3O2/c1-14-5-6-18(17(21)13-14)22-19(25)15(2)23-11-7-16(8-12-23)20(26)24-9-3-4-10-24/h5-6,13,15-16H,3-4,7-12H2,1-2H3,(H,22,25)
InChIKeyLILUHIHNFHIRKY-UHFFFAOYSA-N
MW422.37 g/mol
LogP3.42
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide

N-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide (PubChem CID 42927390) has the molecular formula C20H28BrN3O2 and a molecular weight of 422.37 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
PubChem CID42927390
Molecular FormulaC20H28BrN3O2
Molecular Weight422.37 g/mol
Exact Mass421.14
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCC(C(=O)N3CCCC3)CC2)c(Br)c1
InChIInChI=1S/C20H28BrN3O2/c1-14-5-6-18(17(21)13-14)22-19(25)15(2)23-11-7-16(8-12-23)20(26)24-9-3-4-10-24/h5-6,13,15-16H,3-4,7-12H2,1-2H3,(H,22,25)
InChIKeyLILUHIHNFHIRKY-UHFFFAOYSA-N
XLogP3.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46631156
N-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 42927379
(2S)-N-(2-bromo-4-methylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30739088
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide
CID 55498452
(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9460338
(2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41414954
N-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 46667378
N-(2-bromo-4-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 47335620
N-(2-bromo-4-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
CID 60500734
N-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
CID 55865034
1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908046
N-(2-bromo-4-methylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
CID 51313786

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide (CID 42927390) is N-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide is Cc1ccc(NC(=O)C(C)N2CCC(C(=O)N3CCCC3)CC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide?
The InChIKey is LILUHIHNFHIRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28BrN3O2/c1-14-5-6-18(17(21)13-14)22-19(25)15(2)23-11-7-16(8-12-23)20(26)24-9-3-4-10-24/h5-6,13,15-16H,3-4,7-12H2,1-2H3,(H,22,25).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide?
N-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide has a molecular weight of 422.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 42927390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).