1-(4-bromobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide

C24H28BrN3O3 — CID 46468435

IUPAC1-(4-bromobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C24H28BrN3O3/c1-3-22(29)27-21-10-6-17(7-11-21)16(2)26-23(30)18-12-14-28(15-13-18)24(31)19-4-8-20(25)9-5-19/h4-11,16,18H,3,12-15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyQFWIVXLMNPEROL-UHFFFAOYSA-N
MW486.41 g/mol
LogP4.53
Rot. Bonds6

About 1-(4-bromobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide

1-(4-bromobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide (PubChem CID 46468435) has the molecular formula C24H28BrN3O3 and a molecular weight of 486.41 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide
PubChem CID46468435
Molecular FormulaC24H28BrN3O3
Molecular Weight486.41 g/mol
Exact Mass485.13
IUPAC Name1-(4-bromobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C24H28BrN3O3/c1-3-22(29)27-21-10-6-17(7-11-21)16(2)26-23(30)18-12-14-28(15-13-18)24(31)19-4-8-20(25)9-5-19/h4-11,16,18H,3,12-15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyQFWIVXLMNPEROL-UHFFFAOYSA-N
XLogP4.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.41
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 46475174
N-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide
CID 20973011
1-(4-bromobenzoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 46413518
1-(2,4-difluorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 55655878
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 35049074
1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004083
methyl N-[4-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]phenyl]carbamate
CID 55804770
1-(4-bromobenzoyl)-N-(2-ethyl-1-phenylbutyl)piperidine-4-carboxamide
CID 55763251
1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46580851
N-[1-(4-propan-2-ylphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 43055424
N-[1-(4-bromophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 112761911

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide (CID 46468435) is 1-(4-bromobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide is CCC(=O)Nc1ccc(C(C)NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1.
What is the InChIKey of 1-(4-bromobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide?
The InChIKey is QFWIVXLMNPEROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrN3O3/c1-3-22(29)27-21-10-6-17(7-11-21)16(2)26-23(30)18-12-14-28(15-13-18)24(31)19-4-8-20(25)9-5-19/h4-11,16,18H,3,12-15H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 1-(4-bromobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide?
1-(4-bromobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide has a molecular weight of 486.41 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46468435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).