N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-5-phenylthiophene-2-carboxamide

C28H29N3O3S — CID 44535655

IUPACN-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-5-phenylthiophene-2-carboxamide
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4ccc(-c5ccccc5)s4)CC3)c2c1
InChIInChI=1S/C28H29N3O3S/c1-34-21-7-8-24-23(17-21)22(11-14-29-24)25(32)18-31-15-12-20(13-16-31)30-28(33)27-10-9-26(35-27)19-5-3-2-4-6-19/h2-11,14,17,20,25,32H,12-13,15-16,18H2,1H3,(H,30,33)/t25-/m0/s1
InChIKeyAHTMUKYFGQKKIQ-VWLOTQADSA-N
MW487.63 g/mol
LogP4.90
Rot. Bonds7

About N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-5-phenylthiophene-2-carboxamide

N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-5-phenylthiophene-2-carboxamide (PubChem CID 44535655) has the molecular formula C28H29N3O3S and a molecular weight of 487.63 g/mol. Its IUPAC name is N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-5-phenylthiophene-2-carboxamide
PubChem CID44535655
Molecular FormulaC28H29N3O3S
Molecular Weight487.63 g/mol
Exact Mass487.19
IUPAC NameN-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-5-phenylthiophene-2-carboxamide
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4ccc(-c5ccccc5)s4)CC3)c2c1
InChIInChI=1S/C28H29N3O3S/c1-34-21-7-8-24-23(17-21)22(11-14-29-24)25(32)18-31-15-12-20(13-16-31)30-28(33)27-10-9-26(35-27)19-5-3-2-4-6-19/h2-11,14,17,20,25,32H,12-13,15-16,18H2,1H3,(H,30,33)/t25-/m0/s1
InChIKeyAHTMUKYFGQKKIQ-VWLOTQADSA-N
XLogP4.90
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-5-phenylthiophene-2-carboxamide?
The IUPAC name of N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-5-phenylthiophene-2-carboxamide (CID 44535655) is N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-5-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-5-phenylthiophene-2-carboxamide is COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4ccc(-c5ccccc5)s4)CC3)c2c1.
What is the InChIKey of N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-5-phenylthiophene-2-carboxamide?
The InChIKey is AHTMUKYFGQKKIQ-VWLOTQADSA-N. The full InChI is InChI=1S/C28H29N3O3S/c1-34-21-7-8-24-23(17-21)22(11-14-29-24)25(32)18-31-15-12-20(13-16-31)30-28(33)27-10-9-26(35-27)19-5-3-2-4-6-19/h2-11,14,17,20,25,32H,12-13,15-16,18H2,1H3,(H,30,33)/t25-/m0/s1.
What are the key properties of N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-5-phenylthiophene-2-carboxamide?
N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-5-phenylthiophene-2-carboxamide has a molecular weight of 487.63 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 44535655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).