4,5-dibromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide

C14H16Br2N2O2S — CID 112724292

IUPAC4,5-dibromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H16Br2N2O2S/c15-10-7-11(21-12(10)16)13(19)17-9-3-5-18(6-4-9)14(20)8-1-2-8/h7-9H,1-6H2,(H,17,19)
InChIKeyMCMIKXAQIDDONB-UHFFFAOYSA-N
MW436.17 g/mol
LogP3.40
Rot. Bonds3

About 4,5-dibromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide

4,5-dibromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 112724292) has the molecular formula C14H16Br2N2O2S and a molecular weight of 436.17 g/mol. Its IUPAC name is 4,5-dibromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID112724292
Molecular FormulaC14H16Br2N2O2S
Molecular Weight436.17 g/mol
Exact Mass433.93
IUPAC Name4,5-dibromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H16Br2N2O2S/c15-10-7-11(21-12(10)16)13(19)17-9-3-5-18(6-4-9)14(20)8-1-2-8/h7-9H,1-6H2,(H,17,19)
InChIKeyMCMIKXAQIDDONB-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.17
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide
CID 112725100
4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
CID 9217766
4,5-dibromo-N-piperidin-3-ylthiophene-2-carboxamide
CID 80537940
4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866520
5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 55690906
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 55690908
4-bromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 47150973
4,5-dibromo-N-(3-methoxycyclobutyl)thiophene-2-carboxamide
CID 104578402
N-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 112723098
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 46454753
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 46454889
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide (CID 112724292) is 4,5-dibromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide is O=C(NC1CCN(C(=O)C2CC2)CC1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is MCMIKXAQIDDONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2O2S/c15-10-7-11(21-12(10)16)13(19)17-9-3-5-18(6-4-9)14(20)8-1-2-8/h7-9H,1-6H2,(H,17,19).
What are the key properties of 4,5-dibromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide?
4,5-dibromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 436.17 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 112724292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).