4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide

C21H24ClN3O2 — CID 3966910

IUPAC4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cc2occc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C21H24ClN3O2/c22-17-6-4-5-16(13-17)15-25-18-7-12-27-20(18)14-19(25)21(26)23-8-11-24-9-2-1-3-10-24/h4-7,12-14H,1-3,8-11,15H2,(H,23,26)
InChIKeyMAWZUTRJJXBNBQ-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.15
Rot. Bonds6

About 4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide

4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 3966910) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID3966910
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cc2occc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C21H24ClN3O2/c22-17-6-4-5-16(13-17)15-25-18-7-12-27-20(18)14-19(25)21(26)23-8-11-24-9-2-1-3-10-24/h4-7,12-14H,1-3,8-11,15H2,(H,23,26)
InChIKeyMAWZUTRJJXBNBQ-UHFFFAOYSA-N
XLogP4.15
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791069
4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791148
4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 45494460
4-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790763
1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone
CID 42790770
4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 45496120
5-[(3-chlorophenyl)methyl]-12-methyl-N-(2-morpholin-4-ylethyl)-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene-4-carboxamide
CID 118159696
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791492
4-[(4-bromophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3577230
1-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)indazole-6-carboxamide
CID 53012821
4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790861

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide (CID 3966910) is 4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide is O=C(NCCN1CCCCC1)c1cc2occc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is MAWZUTRJJXBNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c22-17-6-4-5-16(13-17)15-25-18-7-12-27-20(18)14-19(25)21(26)23-8-11-24-9-2-1-3-10-24/h4-7,12-14H,1-3,8-11,15H2,(H,23,26).
What are the key properties of 4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide?
4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3966910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).