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

C25H28BrN3O3 — CID 46475174

IUPAC1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C25H28BrN3O3/c1-16(17-6-10-22(11-7-17)28-24(31)18-2-3-18)27-23(30)19-12-14-29(15-13-19)25(32)20-4-8-21(26)9-5-20/h4-11,16,18-19H,2-3,12-15H2,1H3,(H,27,30)(H,28,31)
InChIKeyOZEAFVANSMWRFB-UHFFFAOYSA-N
MW498.42 g/mol
LogP4.53
Rot. Bonds6

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

1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide (PubChem CID 46475174) has the molecular formula C25H28BrN3O3 and a molecular weight of 498.42 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide
PubChem CID46475174
Molecular FormulaC25H28BrN3O3
Molecular Weight498.42 g/mol
Exact Mass497.13
IUPAC Name1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C25H28BrN3O3/c1-16(17-6-10-22(11-7-17)28-24(31)18-2-3-18)27-23(30)19-12-14-29(15-13-19)25(32)20-4-8-21(26)9-5-20/h4-11,16,18-19H,2-3,12-15H2,1H3,(H,27,30)(H,28,31)
InChIKeyOZEAFVANSMWRFB-UHFFFAOYSA-N
XLogP4.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.42
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 46468435
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 35049074
1-(4-bromobenzoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 46413518
methyl N-[4-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]phenyl]carbamate
CID 55804770
1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006809
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46580851
1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004083
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341
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
N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800129

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide (CID 46475174) is 1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide is CC(NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide?
The InChIKey is OZEAFVANSMWRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28BrN3O3/c1-16(17-6-10-22(11-7-17)28-24(31)18-2-3-18)27-23(30)19-12-14-29(15-13-19)25(32)20-4-8-21(26)9-5-20/h4-11,16,18-19H,2-3,12-15H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide?
1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide has a molecular weight of 498.42 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-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46475174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).