1-(2-amino-3-methylpentanoyl)-N-(4-bromophenyl)piperidine-4-carboxamide

C18H26BrN3O2 — CID 119763556

IUPAC1-(2-amino-3-methylpentanoyl)-N-(4-bromophenyl)piperidine-4-carboxamide
SMILESCCC(C)C(N)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C18H26BrN3O2/c1-3-12(2)16(20)18(24)22-10-8-13(9-11-22)17(23)21-15-6-4-14(19)5-7-15/h4-7,12-13,16H,3,8-11,20H2,1-2H3,(H,21,23)
InChIKeyILTPJPUENVJFBI-UHFFFAOYSA-N
MW396.33 g/mol
LogP3.00
Rot. Bonds5

About 1-(2-amino-3-methylpentanoyl)-N-(4-bromophenyl)piperidine-4-carboxamide

1-(2-amino-3-methylpentanoyl)-N-(4-bromophenyl)piperidine-4-carboxamide (PubChem CID 119763556) has the molecular formula C18H26BrN3O2 and a molecular weight of 396.33 g/mol. Its IUPAC name is 1-(2-amino-3-methylpentanoyl)-N-(4-bromophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-3-methylpentanoyl)-N-(4-bromophenyl)piperidine-4-carboxamide
PubChem CID119763556
Molecular FormulaC18H26BrN3O2
Molecular Weight396.33 g/mol
Exact Mass395.12
IUPAC Name1-(2-amino-3-methylpentanoyl)-N-(4-bromophenyl)piperidine-4-carboxamide
SMILESCCC(C)C(N)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C18H26BrN3O2/c1-3-12(2)16(20)18(24)22-10-8-13(9-11-22)17(23)21-15-6-4-14(19)5-7-15/h4-7,12-13,16H,3,8-11,20H2,1-2H3,(H,21,23)
InChIKeyILTPJPUENVJFBI-UHFFFAOYSA-N
XLogP3.00
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252836
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
ethyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008394
N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31669191
methyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008005
ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 26288905
1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride
CID 119723977
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 35049074
methyl N-[4-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]phenyl]carbamate
CID 55804770
1-(2-ethylbutanoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007804
butyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]benzoate
CID 31776506
N-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
CID 113007421

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methylpentanoyl)-N-(4-bromophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-3-methylpentanoyl)-N-(4-bromophenyl)piperidine-4-carboxamide (CID 119763556) is 1-(2-amino-3-methylpentanoyl)-N-(4-bromophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-3-methylpentanoyl)-N-(4-bromophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-3-methylpentanoyl)-N-(4-bromophenyl)piperidine-4-carboxamide is CCC(C)C(N)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(2-amino-3-methylpentanoyl)-N-(4-bromophenyl)piperidine-4-carboxamide?
The InChIKey is ILTPJPUENVJFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN3O2/c1-3-12(2)16(20)18(24)22-10-8-13(9-11-22)17(23)21-15-6-4-14(19)5-7-15/h4-7,12-13,16H,3,8-11,20H2,1-2H3,(H,21,23).
What are the key properties of 1-(2-amino-3-methylpentanoyl)-N-(4-bromophenyl)piperidine-4-carboxamide?
1-(2-amino-3-methylpentanoyl)-N-(4-bromophenyl)piperidine-4-carboxamide has a molecular weight of 396.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methylpentanoyl)-N-(4-bromophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 119763556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).