N-[1-[1-(3-bromophenyl)cyclopropanecarbonyl]piperidin-4-yl]-3-phenylpropanamide

C24H27BrN2O2 — CID 55692283

IUPACN-[1-[1-(3-bromophenyl)cyclopropanecarbonyl]piperidin-4-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1
InChIInChI=1S/C24H27BrN2O2/c25-20-8-4-7-19(17-20)24(13-14-24)23(29)27-15-11-21(12-16-27)26-22(28)10-9-18-5-2-1-3-6-18/h1-8,17,21H,9-16H2,(H,26,28)
InChIKeyNRRRSLLUCSURIX-UHFFFAOYSA-N
MW455.40 g/mol
LogP4.22
Rot. Bonds6

About N-[1-[1-(3-bromophenyl)cyclopropanecarbonyl]piperidin-4-yl]-3-phenylpropanamide

N-[1-[1-(3-bromophenyl)cyclopropanecarbonyl]piperidin-4-yl]-3-phenylpropanamide (PubChem CID 55692283) has the molecular formula C24H27BrN2O2 and a molecular weight of 455.40 g/mol. Its IUPAC name is N-[1-[1-(3-bromophenyl)cyclopropanecarbonyl]piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[1-(3-bromophenyl)cyclopropanecarbonyl]piperidin-4-yl]-3-phenylpropanamide
PubChem CID55692283
Molecular FormulaC24H27BrN2O2
Molecular Weight455.40 g/mol
Exact Mass454.13
IUPAC NameN-[1-[1-(3-bromophenyl)cyclopropanecarbonyl]piperidin-4-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1
InChIInChI=1S/C24H27BrN2O2/c25-20-8-4-7-19(17-20)24(13-14-24)23(29)27-15-11-21(12-16-27)26-22(28)10-9-18-5-2-1-3-6-18/h1-8,17,21H,9-16H2,(H,26,28)
InChIKeyNRRRSLLUCSURIX-UHFFFAOYSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide
CID 127122392
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
(3S)-1-[1-(3-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 124703158
1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-propylpiperidine-4-carboxamide
CID 134003440
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 112813855
1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 55745166
[1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 134034309
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide
CID 46464176
N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide
CID 134034329
[1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401763

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-bromophenyl)cyclopropanecarbonyl]piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[1-(3-bromophenyl)cyclopropanecarbonyl]piperidin-4-yl]-3-phenylpropanamide (CID 55692283) is N-[1-[1-(3-bromophenyl)cyclopropanecarbonyl]piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[1-(3-bromophenyl)cyclopropanecarbonyl]piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[1-(3-bromophenyl)cyclopropanecarbonyl]piperidin-4-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1.
What is the InChIKey of N-[1-[1-(3-bromophenyl)cyclopropanecarbonyl]piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is NRRRSLLUCSURIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN2O2/c25-20-8-4-7-19(17-20)24(13-14-24)23(29)27-15-11-21(12-16-27)26-22(28)10-9-18-5-2-1-3-6-18/h1-8,17,21H,9-16H2,(H,26,28).
What are the key properties of N-[1-[1-(3-bromophenyl)cyclopropanecarbonyl]piperidin-4-yl]-3-phenylpropanamide?
N-[1-[1-(3-bromophenyl)cyclopropanecarbonyl]piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 455.40 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-bromophenyl)cyclopropanecarbonyl]piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 55692283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).