N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-formylpiperidin-1-yl)acetamide

C15H21BrN2O2S — CID 62655122

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-formylpiperidin-1-yl)acetamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)CN1CCCC(C=O)C1
InChIInChI=1S/C15H21BrN2O2S/c1-2-18(9-13-5-6-14(16)21-13)15(20)10-17-7-3-4-12(8-17)11-19/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyZHXNHYDEEYCQOX-UHFFFAOYSA-N
MW373.32 g/mol
LogP2.77
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-formylpiperidin-1-yl)acetamide

N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-formylpiperidin-1-yl)acetamide (PubChem CID 62655122) has the molecular formula C15H21BrN2O2S and a molecular weight of 373.32 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-formylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-formylpiperidin-1-yl)acetamide
PubChem CID62655122
Molecular FormulaC15H21BrN2O2S
Molecular Weight373.32 g/mol
Exact Mass372.05
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-formylpiperidin-1-yl)acetamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)CN1CCCC(C=O)C1
InChIInChI=1S/C15H21BrN2O2S/c1-2-18(9-13-5-6-14(16)21-13)15(20)10-17-7-3-4-12(8-17)11-19/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyZHXNHYDEEYCQOX-UHFFFAOYSA-N
XLogP2.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 62063076
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79834457
N-[(5-bromothiophen-2-yl)methyl]-2-(cyclopropylmethylamino)-N-ethylacetamide
CID 54869357
N-ethyl-2-(3-formylpiperidin-1-yl)-N-methylacetamide
CID 62655686
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713834
N-ethyl-2-(3-formylpiperidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 62660462
2-(3-formylpiperidin-1-yl)-N-methyl-N-phenylacetamide
CID 55099876
2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 62656728
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-hydroxypropylsulfanyl)acetamide
CID 66114964
2-(1-aminocyclopentyl)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 64685075
2-(3-aminopropylsulfanyl)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 66218074
(2S)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide
CID 61164827

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-formylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-formylpiperidin-1-yl)acetamide (CID 62655122) is N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-formylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-formylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-formylpiperidin-1-yl)acetamide is CCN(Cc1ccc(Br)s1)C(=O)CN1CCCC(C=O)C1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-formylpiperidin-1-yl)acetamide?
The InChIKey is ZHXNHYDEEYCQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2S/c1-2-18(9-13-5-6-14(16)21-13)15(20)10-17-7-3-4-12(8-17)11-19/h5-6,11-12H,2-4,7-10H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-formylpiperidin-1-yl)acetamide?
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-formylpiperidin-1-yl)acetamide has a molecular weight of 373.32 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-formylpiperidin-1-yl)acetamide is sourced from PubChem (CID 62655122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).