1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide

C16H22BrN3O2 — CID 119314744

IUPAC1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide
SMILESNCCCC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C16H22BrN3O2/c17-13-4-1-2-5-14(13)19-16(22)12-7-10-20(11-8-12)15(21)6-3-9-18/h1-2,4-5,12H,3,6-11,18H2,(H,19,22)
InChIKeyAWDRYKSJORYDPK-UHFFFAOYSA-N
MW368.28 g/mol
LogP2.37
Rot. Bonds5

About 1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide

1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide (PubChem CID 119314744) has the molecular formula C16H22BrN3O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide
PubChem CID119314744
Molecular FormulaC16H22BrN3O2
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC Name1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide
SMILESNCCCC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C16H22BrN3O2/c17-13-4-1-2-5-14(13)19-16(22)12-7-10-20(11-8-12)15(21)6-3-9-18/h1-2,4-5,12H,3,6-11,18H2,(H,19,22)
InChIKeyAWDRYKSJORYDPK-UHFFFAOYSA-N
XLogP2.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-aminobutanoyl)-N-(2-bromophenyl)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

N-(2-bromophenyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide;hydrochloride
CID 119768316
N-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride
CID 119768326
1-(4-aminobutanoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 119314607
1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride
CID 119314721
N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 1326323
1-(3-aminocyclopentanecarbonyl)-N-(2-bromophenyl)piperidine-4-carboxamide
CID 119768319
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
N-(2-bromophenyl)-1-(piperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119314729
N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347
N-(2-bromophenyl)-1-[2-methyl-3-(methylamino)propanoyl]piperidine-4-carboxamide;hydrochloride
CID 119768328
N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide
CID 55653511
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide (CID 119314744) is 1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide is NCCCC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1.
What is the InChIKey of 1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide?
The InChIKey is AWDRYKSJORYDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O2/c17-13-4-1-2-5-14(13)19-16(22)12-7-10-20(11-8-12)15(21)6-3-9-18/h1-2,4-5,12H,3,6-11,18H2,(H,19,22).
What are the key properties of 1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide?
1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide has a molecular weight of 368.28 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 119314744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).