N-[1-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide

C27H31F3N4O3S — CID 171681606

IUPACN-[1-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCc1ccc(OC(F)(F)F)cc1)NC1CCN(C2CCN(C(=O)c3cc4sccc4[nH]3)CC2)CC1
InChIInChI=1S/C27H31F3N4O3S/c28-27(29,30)37-21-4-1-18(2-5-21)3-6-25(35)31-19-7-12-33(13-8-19)20-9-14-34(15-10-20)26(36)23-17-24-22(32-23)11-16-38-24/h1-2,4-5,11,16-17,19-20,32H,3,6-10,12-15H2,(H,31,35)
InChIKeyNZRICVMYZNXLAQ-UHFFFAOYSA-N
MW548.63 g/mol
LogP4.95
Rot. Bonds7

About N-[1-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide

N-[1-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 171681606) has the molecular formula C27H31F3N4O3S and a molecular weight of 548.63 g/mol. Its IUPAC name is N-[1-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-[1-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID171681606
Molecular FormulaC27H31F3N4O3S
Molecular Weight548.63 g/mol
Exact Mass548.21
IUPAC NameN-[1-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCc1ccc(OC(F)(F)F)cc1)NC1CCN(C2CCN(C(=O)c3cc4sccc4[nH]3)CC2)CC1
InChIInChI=1S/C27H31F3N4O3S/c28-27(29,30)37-21-4-1-18(2-5-21)3-6-25(35)31-19-7-12-33(13-8-19)20-9-14-34(15-10-20)26(36)23-17-24-22(32-23)11-16-38-24/h1-2,4-5,11,16-17,19-20,32H,3,6-10,12-15H2,(H,31,35)
InChIKeyNZRICVMYZNXLAQ-UHFFFAOYSA-N
XLogP4.95
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.63
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(5-methoxy-2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 171684762
N-[1-[1-[2-(2,5-dimethylphenyl)acetyl]piperidin-4-yl]piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 171683146
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 94794742
3-(4-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341221
1-(3-piperazin-1-ylpyrrolidin-1-yl)-3-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 120996743
3-(4-chlorophenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide
CID 108556549
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide
CID 110819897
(1-oxo-1,4-thiazinan-4-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 86807716
3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide
CID 47056405
2-(4-methoxyphenyl)-N-[1-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 171685034
tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 51124373
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of N-[1-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide (CID 171681606) is N-[1-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for N-[1-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for N-[1-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide is O=C(CCc1ccc(OC(F)(F)F)cc1)NC1CCN(C2CCN(C(=O)c3cc4sccc4[nH]3)CC2)CC1.
What is the InChIKey of N-[1-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is NZRICVMYZNXLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N4O3S/c28-27(29,30)37-21-4-1-18(2-5-21)3-6-25(35)31-19-7-12-33(13-8-19)20-9-14-34(15-10-20)26(36)23-17-24-22(32-23)11-16-38-24/h1-2,4-5,11,16-17,19-20,32H,3,6-10,12-15H2,(H,31,35).
What are the key properties of N-[1-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide?
N-[1-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 548.63 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 171681606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).