1-[4-(4-bromophenyl)-4-oxobutanoyl]piperidine-4-carboxamide

C16H19BrN2O3 — CID 2106797

IUPAC1-[4-(4-bromophenyl)-4-oxobutanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H19BrN2O3/c17-13-3-1-11(2-4-13)14(20)5-6-15(21)19-9-7-12(8-10-19)16(18)22/h1-4,12H,5-10H2,(H2,18,22)
InChIKeyUVFYVYWPCBVRRH-UHFFFAOYSA-N
MW367.24 g/mol
LogP2.14
Rot. Bonds5

About 1-[4-(4-bromophenyl)-4-oxobutanoyl]piperidine-4-carboxamide

1-[4-(4-bromophenyl)-4-oxobutanoyl]piperidine-4-carboxamide (PubChem CID 2106797) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)-4-oxobutanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)-4-oxobutanoyl]piperidine-4-carboxamide
PubChem CID2106797
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC Name1-[4-(4-bromophenyl)-4-oxobutanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H19BrN2O3/c17-13-3-1-11(2-4-13)14(20)5-6-15(21)19-9-7-12(8-10-19)16(18)22/h1-4,12H,5-10H2,(H2,18,22)
InChIKeyUVFYVYWPCBVRRH-UHFFFAOYSA-N
XLogP2.14
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-bromophenyl)-4-oxobutanoyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Bromophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 2978552
1-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 2402930
1-Propanone, 1-(4-bromophenyl)-3-(1-piperidinyl)-, hydrochloride (1:1)
CID 120529
4-Benzyl-1-(4-bromobenzoyl)piperidine
CID 984595
1-(4-bromobenzoyl)-N-cycloheptyl-4-piperidinecarboxamide
CID 1004010
1-(4-bromobenzoyl)-N-[2-(1-cyclohexen-1-yl)ethyl]-4-piperidinecarboxamide
CID 1004016
3-(4-Benzoylpiperazin-1-yl)-1-(4-bromophenyl)propan-1-one
CID 2117563
4-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]-4-oxobutanamide
CID 4587212
Ethyl 4-[3-(4-bromophenyl)-3-oxopropyl]piperazine-1-carboxylate;hydrochloride
CID 24762035
(E)-3-(4-bromophenyl)-1-[4-(2-phenylacetyl)piperazin-1-yl]prop-2-en-1-one
CID 86579900
1-[4-(4-Fluorophenyl)-4-oxobutanoyl]piperidine-4-carboxamide
CID 2401200
1-[4-(4-Methylphenyl)-4-oxobutanoyl]piperidine-4-carboxamide
CID 2418958

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)-4-oxobutanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-bromophenyl)-4-oxobutanoyl]piperidine-4-carboxamide (CID 2106797) is 1-[4-(4-bromophenyl)-4-oxobutanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-bromophenyl)-4-oxobutanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-bromophenyl)-4-oxobutanoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CCC(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[4-(4-bromophenyl)-4-oxobutanoyl]piperidine-4-carboxamide?
The InChIKey is UVFYVYWPCBVRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3/c17-13-3-1-11(2-4-13)14(20)5-6-15(21)19-9-7-12(8-10-19)16(18)22/h1-4,12H,5-10H2,(H2,18,22).
What are the key properties of 1-[4-(4-bromophenyl)-4-oxobutanoyl]piperidine-4-carboxamide?
1-[4-(4-bromophenyl)-4-oxobutanoyl]piperidine-4-carboxamide has a molecular weight of 367.24 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)-4-oxobutanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 2106797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).