4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide

C14H21BrN2OS — CID 119464147

IUPAC4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide
SMILESO=C(CCCc1ccc(Br)s1)NCC1CCCNC1
InChIInChI=1S/C14H21BrN2OS/c15-13-7-6-12(19-13)4-1-5-14(18)17-10-11-3-2-8-16-9-11/h6-7,11,16H,1-5,8-10H2,(H,17,18)
InChIKeyPLVUZBGPJIVOFQ-UHFFFAOYSA-N
MW345.31 g/mol
LogP2.95
Rot. Bonds6

About 4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide

4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide (PubChem CID 119464147) has the molecular formula C14H21BrN2OS and a molecular weight of 345.31 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide
PubChem CID119464147
Molecular FormulaC14H21BrN2OS
Molecular Weight345.31 g/mol
Exact Mass344.06
IUPAC Name4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide
SMILESO=C(CCCc1ccc(Br)s1)NCC1CCCNC1
InChIInChI=1S/C14H21BrN2OS/c15-13-7-6-12(19-13)4-1-5-14(18)17-10-11-3-2-8-16-9-11/h6-7,11,16H,1-5,8-10H2,(H,17,18)
InChIKeyPLVUZBGPJIVOFQ-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide 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-(5-bromothiophen-2-yl)-4-piperidin-3-ylbutan-2-one
CID 116562155
3-(4-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119464662
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide
CID 119464585
4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119462608
4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
CID 18163868
4-(4-bromophenyl)sulfanyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119461530
4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514194
3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462406
(3S)-N-[(5-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81129935
3-[4-(5-bromothiophen-2-yl)butanoylamino]propanoic acid
CID 43354897
4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394190
4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride
CID 119460102

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide?
The IUPAC name of 4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide (CID 119464147) is 4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide is O=C(CCCc1ccc(Br)s1)NCC1CCCNC1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide?
The InChIKey is PLVUZBGPJIVOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS/c15-13-7-6-12(19-13)4-1-5-14(18)17-10-11-3-2-8-16-9-11/h6-7,11,16H,1-5,8-10H2,(H,17,18).
What are the key properties of 4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide?
4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide has a molecular weight of 345.31 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide is sourced from PubChem (CID 119464147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).