4-[[(4-bromothiophene-2-carbonyl)amino]methyl]-N-tert-butylpiperidine-1-carboxamide

C16H24BrN3O2S — CID 71806763

IUPAC4-[[(4-bromothiophene-2-carbonyl)amino]methyl]-N-tert-butylpiperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(CNC(=O)c2cc(Br)cs2)CC1
InChIInChI=1S/C16H24BrN3O2S/c1-16(2,3)19-15(22)20-6-4-11(5-7-20)9-18-14(21)13-8-12(17)10-23-13/h8,10-11H,4-7,9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyLQQYERRCWNLENO-UHFFFAOYSA-N
MW402.36 g/mol
LogP3.46
Rot. Bonds3

About 4-[[(4-bromothiophene-2-carbonyl)amino]methyl]-N-tert-butylpiperidine-1-carboxamide

4-[[(4-bromothiophene-2-carbonyl)amino]methyl]-N-tert-butylpiperidine-1-carboxamide (PubChem CID 71806763) has the molecular formula C16H24BrN3O2S and a molecular weight of 402.36 g/mol. Its IUPAC name is 4-[[(4-bromothiophene-2-carbonyl)amino]methyl]-N-tert-butylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[(4-bromothiophene-2-carbonyl)amino]methyl]-N-tert-butylpiperidine-1-carboxamide
PubChem CID71806763
Molecular FormulaC16H24BrN3O2S
Molecular Weight402.36 g/mol
Exact Mass401.08
IUPAC Name4-[[(4-bromothiophene-2-carbonyl)amino]methyl]-N-tert-butylpiperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(CNC(=O)c2cc(Br)cs2)CC1
InChIInChI=1S/C16H24BrN3O2S/c1-16(2,3)19-15(22)20-6-4-11(5-7-20)9-18-14(21)13-8-12(17)10-23-13/h8,10-11H,4-7,9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyLQQYERRCWNLENO-UHFFFAOYSA-N
XLogP3.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(4-bromothiophene-2-carbonyl)amino]methyl]-N-tert-butylpiperidine-1-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

4-bromo-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 71806882
(4-bromothiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538654
N-tert-butyl-4-[[(2-oxoimidazolidine-1-carbonyl)amino]methyl]piperidine-1-carboxamide
CID 71806765
5-[[1-(tert-butylcarbamoyl)piperidin-4-yl]methylamino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 71798253
tert-butyl (3S)-3-[[(4,5-dibromothiophene-2-carbonyl)amino]methyl]pyrrolidine-1-carboxylate
CID 69106743
(4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone
CID 83558896
tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate
CID 2810469
N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromothiophene-2-carboxamide;hydrochloride
CID 119572469
4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide
CID 154795317
N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022608
5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 79965148
N-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide
CID 114147866

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-bromothiophene-2-carbonyl)amino]methyl]-N-tert-butylpiperidine-1-carboxamide?
The IUPAC name of 4-[[(4-bromothiophene-2-carbonyl)amino]methyl]-N-tert-butylpiperidine-1-carboxamide (CID 71806763) is 4-[[(4-bromothiophene-2-carbonyl)amino]methyl]-N-tert-butylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[(4-bromothiophene-2-carbonyl)amino]methyl]-N-tert-butylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[(4-bromothiophene-2-carbonyl)amino]methyl]-N-tert-butylpiperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(CNC(=O)c2cc(Br)cs2)CC1.
What is the InChIKey of 4-[[(4-bromothiophene-2-carbonyl)amino]methyl]-N-tert-butylpiperidine-1-carboxamide?
The InChIKey is LQQYERRCWNLENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2S/c1-16(2,3)19-15(22)20-6-4-11(5-7-20)9-18-14(21)13-8-12(17)10-23-13/h8,10-11H,4-7,9H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 4-[[(4-bromothiophene-2-carbonyl)amino]methyl]-N-tert-butylpiperidine-1-carboxamide?
4-[[(4-bromothiophene-2-carbonyl)amino]methyl]-N-tert-butylpiperidine-1-carboxamide has a molecular weight of 402.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-bromothiophene-2-carbonyl)amino]methyl]-N-tert-butylpiperidine-1-carboxamide is sourced from PubChem (CID 71806763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).