N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide

C22H25BrN2O2 — CID 108556360

IUPACN-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NC2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C22H25BrN2O2/c1-16-2-4-17(5-3-16)6-11-21(26)24-20-12-14-25(15-13-20)22(27)18-7-9-19(23)10-8-18/h2-5,7-10,20H,6,11-15H2,1H3,(H,24,26)
InChIKeyUQYQQECEYDAFGY-UHFFFAOYSA-N
MW429.36 g/mol
LogP4.11
Rot. Bonds5

About N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide

N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide (PubChem CID 108556360) has the molecular formula C22H25BrN2O2 and a molecular weight of 429.36 g/mol. Its IUPAC name is N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
PubChem CID108556360
Molecular FormulaC22H25BrN2O2
Molecular Weight429.36 g/mol
Exact Mass428.11
IUPAC NameN-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NC2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C22H25BrN2O2/c1-16-2-4-17(5-3-16)6-11-21(26)24-20-12-14-25(15-13-20)22(27)18-7-9-19(23)10-8-18/h2-5,7-10,20H,6,11-15H2,1H3,(H,24,26)
InChIKeyUQYQQECEYDAFGY-UHFFFAOYSA-N
XLogP4.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide
CID 108556350
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556342
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556946
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 110819291
4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide
CID 108563549
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 18154917
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556405
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide
CID 108564071
3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556580
4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108552084

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide (CID 108556360) is N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NC2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1.
What is the InChIKey of N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide?
The InChIKey is UQYQQECEYDAFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O2/c1-16-2-4-17(5-3-16)6-11-21(26)24-20-12-14-25(15-13-20)22(27)18-7-9-19(23)10-8-18/h2-5,7-10,20H,6,11-15H2,1H3,(H,24,26).
What are the key properties of N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide?
N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide has a molecular weight of 429.36 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 108556360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).